(1R,2S,5S)-2-methyl-5-propyl-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]cyclohex-3-ene-1-carboxamide

C30H53NO9 — CID 174027473

IUPAC(1R,2S,5S)-2-methyl-5-propyl-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]cyclohex-3-ene-1-carboxamide
SMILESC#CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H]1C[C@H](CCC)C=C[C@@H]1C
InChIInChI=1S/C30H53NO9/c1-4-6-28-8-7-27(3)29(26-28)30(32)31-9-11-34-13-15-36-17-19-38-21-23-40-25-24-39-22-20-37-18-16-35-14-12-33-10-5-2/h2,7-8,27-29H,4,6,9-26H2,1,3H3,(H,31,32)/t27-,28+,29+/m0/s1
InChIKeyIFBQEBXEEAMSBM-ZGIBFIJWSA-N
MW571.75 g/mol
LogP2.50
Rot. Bonds28

About (1R,2S,5S)-2-methyl-5-propyl-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]cyclohex-3-ene-1-carboxamide

(1R,2S,5S)-2-methyl-5-propyl-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 174027473) has the molecular formula C30H53NO9 and a molecular weight of 571.75 g/mol. Its IUPAC name is (1R,2S,5S)-2-methyl-5-propyl-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R,2S,5S)-2-methyl-5-propyl-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID174027473
Molecular FormulaC30H53NO9
Molecular Weight571.75 g/mol
Exact Mass571.37
IUPAC Name(1R,2S,5S)-2-methyl-5-propyl-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]cyclohex-3-ene-1-carboxamide
SMILESC#CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H]1C[C@H](CCC)C=C[C@@H]1C
InChIInChI=1S/C30H53NO9/c1-4-6-28-8-7-27(3)29(26-28)30(32)31-9-11-34-13-15-36-17-19-38-21-23-40-25-24-39-22-20-37-18-16-35-14-12-33-10-5-2/h2,7-8,27-29H,4,6,9-26H2,1,3H3,(H,31,32)/t27-,28+,29+/m0/s1
InChIKeyIFBQEBXEEAMSBM-ZGIBFIJWSA-N
XLogP2.50
TPSA102.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds28
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.75
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(1S,4S,5S)-4-[[(2-methoxyacetyl)amino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-prop-2-ynylacetamide
CID 38028716
(4Z)-N-[2-[2-[2-[[(4Z)-cyclooct-4-ene-1-carbonyl]amino]ethoxy]ethoxy]ethyl]cyclooct-4-ene-1-carboxamide
CID 57882881
(4Z)-N-[2-(2-methoxyethoxy)ethyl]cyclooct-4-ene-1-carboxamide
CID 57882892
N,N'-bis[2-(2-hydroxyethoxy)ethyl]-8,13-dimethylicos-5-enediamide
CID 123810221
3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide;ethane;molecular hydrogen
CID 154670608
(1S,2R,4S)-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 164907342
(1R,2S)-2,5-dimethyl-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]cyclohex-3-ene-1-carboxamide
CID 174027472
2-[(1S,4S,5S)-4-(acetamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-(2-methoxyethyl)acetamide
CID 38027677
2-[4-[[(2-methoxyacetyl)amino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-prop-2-ynylacetamide
CID 85500590
3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide
CID 154670609
Norbornene-PEG3 Propargyl
CID 154803510
Norbornene-PEG2 Propargyl
CID 154803511

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S)-2-methyl-5-propyl-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R,2S,5S)-2-methyl-5-propyl-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]cyclohex-3-ene-1-carboxamide (CID 174027473) is (1R,2S,5S)-2-methyl-5-propyl-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R,2S,5S)-2-methyl-5-propyl-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R,2S,5S)-2-methyl-5-propyl-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]cyclohex-3-ene-1-carboxamide is C#CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H]1C[C@H](CCC)C=C[C@@H]1C.
What is the InChIKey of (1R,2S,5S)-2-methyl-5-propyl-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is IFBQEBXEEAMSBM-ZGIBFIJWSA-N. The full InChI is InChI=1S/C30H53NO9/c1-4-6-28-8-7-27(3)29(26-28)30(32)31-9-11-34-13-15-36-17-19-38-21-23-40-25-24-39-22-20-37-18-16-35-14-12-33-10-5-2/h2,7-8,27-29H,4,6,9-26H2,1,3H3,(H,31,32)/t27-,28+,29+/m0/s1.
What are the key properties of (1R,2S,5S)-2-methyl-5-propyl-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]cyclohex-3-ene-1-carboxamide?
(1R,2S,5S)-2-methyl-5-propyl-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 571.75 g/mol, XLogP of 2.50, 28 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S)-2-methyl-5-propyl-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 174027473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).