N,N'-dicyclohexyl-N,N'-diethyltetradecanediamide

C30H56N2O2 — CID 20752264

IUPACN,N'-dicyclohexyl-N,N'-diethyltetradecanediamide
SMILESCCN(C(=O)CCCCCCCCCCCCC(=O)N(CC)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C30H56N2O2/c1-3-31(27-21-15-13-16-22-27)29(33)25-19-11-9-7-5-6-8-10-12-20-26-30(34)32(4-2)28-23-17-14-18-24-28/h27-28H,3-26H2,1-2H3
InChIKeyNEOGYACDGYUCCO-UHFFFAOYSA-N
MW476.79 g/mol
LogP8.03
Rot. Bonds17

About N,N'-dicyclohexyl-N,N'-diethyltetradecanediamide

N,N'-dicyclohexyl-N,N'-diethyltetradecanediamide (PubChem CID 20752264) has the molecular formula C30H56N2O2 and a molecular weight of 476.79 g/mol. Its IUPAC name is N,N'-dicyclohexyl-N,N'-diethyltetradecanediamide.

Molecular Properties

Compound NameN,N'-dicyclohexyl-N,N'-diethyltetradecanediamide
PubChem CID20752264
Molecular FormulaC30H56N2O2
Molecular Weight476.79 g/mol
Exact Mass476.43
IUPAC NameN,N'-dicyclohexyl-N,N'-diethyltetradecanediamide
SMILESCCN(C(=O)CCCCCCCCCCCCC(=O)N(CC)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C30H56N2O2/c1-3-31(27-21-15-13-16-22-27)29(33)25-19-11-9-7-5-6-8-10-12-20-26-30(34)32(4-2)28-23-17-14-18-24-28/h27-28H,3-26H2,1-2H3
InChIKeyNEOGYACDGYUCCO-UHFFFAOYSA-N
XLogP8.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.79
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-(2-chloroethyl)-N-cyclohexyloctanamide
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N-(2-bromoethyl)-N-cyclohexyloctanamide
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N-(3-aminopropyl)-N-cycloheptylheptanamide
CID 114751887
N-cyclopentyl-N-ethyl-3-(ethylamino)propanamide
CID 62831926
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
N-cyclohexyl-N-ethyl-2-(ethylamino)acetamide
CID 60686638
N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide
CID 20752266
N-(2-bromoethyl)-N-cyclobutyloctanamide
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N-cyclobutyl-N-(3-hydroxypropyl)decanamide
CID 102866665

Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexyl-N,N'-diethyltetradecanediamide?
The IUPAC name of N,N'-dicyclohexyl-N,N'-diethyltetradecanediamide (CID 20752264) is N,N'-dicyclohexyl-N,N'-diethyltetradecanediamide.
What is the SMILES notation for N,N'-dicyclohexyl-N,N'-diethyltetradecanediamide?
The canonical SMILES for N,N'-dicyclohexyl-N,N'-diethyltetradecanediamide is CCN(C(=O)CCCCCCCCCCCCC(=O)N(CC)C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N'-dicyclohexyl-N,N'-diethyltetradecanediamide?
The InChIKey is NEOGYACDGYUCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56N2O2/c1-3-31(27-21-15-13-16-22-27)29(33)25-19-11-9-7-5-6-8-10-12-20-26-30(34)32(4-2)28-23-17-14-18-24-28/h27-28H,3-26H2,1-2H3.
What are the key properties of N,N'-dicyclohexyl-N,N'-diethyltetradecanediamide?
N,N'-dicyclohexyl-N,N'-diethyltetradecanediamide has a molecular weight of 476.79 g/mol, XLogP of 8.03, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexyl-N,N'-diethyltetradecanediamide is sourced from PubChem (CID 20752264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).