2-cyclohexyl-N-[2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]ethyl]acetamide

C17H31N3O3 — CID 95313447

IUPAC2-cyclohexyl-N-[2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]ethyl]acetamide
SMILESC[C@@H](NC(=O)NCCNC(=O)CC1CCCCC1)[C@H]1CCCO1
InChIInChI=1S/C17H31N3O3/c1-13(15-8-5-11-23-15)20-17(22)19-10-9-18-16(21)12-14-6-3-2-4-7-14/h13-15H,2-12H2,1H3,(H,18,21)(H2,19,20,22)/t13-,15-/m1/s1
InChIKeyMNKGPVFLHPJXFC-UKRRQHHQSA-N
MW325.45 g/mol
LogP1.94
Rot. Bonds7

About 2-cyclohexyl-N-[2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]ethyl]acetamide

2-cyclohexyl-N-[2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]ethyl]acetamide (PubChem CID 95313447) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]ethyl]acetamide
PubChem CID95313447
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name2-cyclohexyl-N-[2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]ethyl]acetamide
SMILESC[C@@H](NC(=O)NCCNC(=O)CC1CCCCC1)[C@H]1CCCO1
InChIInChI=1S/C17H31N3O3/c1-13(15-8-5-11-23-15)20-17(22)19-10-9-18-16(21)12-14-6-3-2-4-7-14/h13-15H,2-12H2,1H3,(H,18,21)(H2,19,20,22)/t13-,15-/m1/s1
InChIKeyMNKGPVFLHPJXFC-UKRRQHHQSA-N
XLogP1.94
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[cyclopentyl(methyl)amino]ethyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95762567
2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 61198700
1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 111438268
1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 27450560
2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 114458404
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 94031387
1-[(2R)-2-methylsulfanylpropyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 97087333
4-[[1-(oxolan-2-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 79525677
(2R)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313821
(2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313801
2-hydroxy-N-[1-(oxan-2-yl)ethyl]acetamide
CID 130749825
1-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 100848596

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]ethyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]ethyl]acetamide (CID 95313447) is 2-cyclohexyl-N-[2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]ethyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]ethyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]ethyl]acetamide is C[C@@H](NC(=O)NCCNC(=O)CC1CCCCC1)[C@H]1CCCO1.
What is the InChIKey of 2-cyclohexyl-N-[2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]ethyl]acetamide?
The InChIKey is MNKGPVFLHPJXFC-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-13(15-8-5-11-23-15)20-17(22)19-10-9-18-16(21)12-14-6-3-2-4-7-14/h13-15H,2-12H2,1H3,(H,18,21)(H2,19,20,22)/t13-,15-/m1/s1.
What are the key properties of 2-cyclohexyl-N-[2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]ethyl]acetamide?
2-cyclohexyl-N-[2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]ethyl]acetamide has a molecular weight of 325.45 g/mol, XLogP of 1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]ethyl]acetamide is sourced from PubChem (CID 95313447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).