cis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide

C18H34N2O4 — CID 94820992

IUPACcis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide
SMILESCCOCCCNC(=O)[C@@H]1CCC[C@H](C(=O)NCCCOCC)C1
InChIInChI=1S/C18H34N2O4/c1-3-23-12-6-10-19-17(21)15-8-5-9-16(14-15)18(22)20-11-7-13-24-4-2/h15-16H,3-14H2,1-2H3,(H,19,21)(H,20,22)/t15-,16+
InChIKeyFYCZQIURXWVHRU-IYBDPMFKSA-N
MW342.48 g/mol
LogP1.88
Rot. Bonds12

About cis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide

cis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide (PubChem CID 94820992) has the molecular formula C18H34N2O4 and a molecular weight of 342.48 g/mol. Its IUPAC name is cis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide
PubChem CID94820992
Molecular FormulaC18H34N2O4
Molecular Weight342.48 g/mol
Exact Mass342.25
IUPAC Namecis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide
SMILESCCOCCCNC(=O)[C@@H]1CCC[C@H](C(=O)NCCCOCC)C1
InChIInChI=1S/C18H34N2O4/c1-3-23-12-6-10-19-17(21)15-8-5-9-16(14-15)18(22)20-11-7-13-24-4-2/h15-16H,3-14H2,1-2H3,(H,19,21)(H,20,22)/t15-,16+
InChIKeyFYCZQIURXWVHRU-IYBDPMFKSA-N
XLogP1.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide
CID 119722404
(3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide
CID 99970155
(2S,4S)-N-(4-ethoxybutyl)-2-methylpiperidine-4-carboxamide
CID 120622256
3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119693905
3-(3-ethoxypropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55146734
2-(3-ethoxypropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114390371
3-[3-(methylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 55236170
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
N-(3-ethoxypropyl)-1-(3-hydroxypropyl)piperidine-4-carboxamide
CID 60500354
N-[3-(2-bromoethoxy)propyl]cycloheptanecarboxamide
CID 106307600
3-amino-N-pentylcyclohexane-1-carboxamide
CID 62775416
N-(3-ethoxypropyl)azocane-2-carboxamide
CID 114240040

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide?
The IUPAC name of cis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide (CID 94820992) is cis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide.
What is the SMILES notation for cis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide?
The canonical SMILES for cis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide is CCOCCCNC(=O)[C@@H]1CCC[C@H](C(=O)NCCCOCC)C1.
What is the InChIKey of cis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide?
The InChIKey is FYCZQIURXWVHRU-IYBDPMFKSA-N. The full InChI is InChI=1S/C18H34N2O4/c1-3-23-12-6-10-19-17(21)15-8-5-9-16(14-15)18(22)20-11-7-13-24-4-2/h15-16H,3-14H2,1-2H3,(H,19,21)(H,20,22)/t15-,16+.
What are the key properties of cis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide?
cis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide has a molecular weight of 342.48 g/mol, XLogP of 1.88, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide is sourced from PubChem (CID 94820992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).