N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide

C30H56N2O2 — CID 20752266

IUPACN,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide
SMILESCC(C)N(C(=O)CCCCCCCCCCC(=O)N(C(C)C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C30H56N2O2/c1-25(2)31(27-19-13-11-14-20-27)29(33)23-17-9-7-5-6-8-10-18-24-30(34)32(26(3)4)28-21-15-12-16-22-28/h25-28H,5-24H2,1-4H3
InChIKeyWIMBNNLQEZYCEI-UHFFFAOYSA-N
MW476.79 g/mol
LogP8.03
Rot. Bonds15

About N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide

N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide (PubChem CID 20752266) has the molecular formula C30H56N2O2 and a molecular weight of 476.79 g/mol. Its IUPAC name is N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide.

Molecular Properties

Compound NameN,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide
PubChem CID20752266
Molecular FormulaC30H56N2O2
Molecular Weight476.79 g/mol
Exact Mass476.43
IUPAC NameN,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide
SMILESCC(C)N(C(=O)CCCCCCCCCCC(=O)N(C(C)C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C30H56N2O2/c1-25(2)31(27-19-13-11-14-20-27)29(33)23-17-9-7-5-6-8-10-18-24-30(34)32(26(3)4)28-21-15-12-16-22-28/h25-28H,5-24H2,1-4H3
InChIKeyWIMBNNLQEZYCEI-UHFFFAOYSA-N
XLogP8.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
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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CID 119291427
4-amino-N-cyclopentyl-N-propan-2-ylpentanamide
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4-amino-N-cyclobutyl-N-propan-2-ylpentanamide;hydrochloride
CID 120563247
2-chloro-N-cyclopentyl-N-propan-2-ylacetamide
CID 54592476
N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-propan-2-ylacetamide
CID 140621937
3-[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43092591
N,N'-dicyclohexyl-N,N'-diethyltetradecanediamide
CID 20752264
2-(1-aminopropan-2-ylsulfanyl)-N-cyclohexyl-N-propan-2-ylacetamide
CID 66217378
N-cyclohexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 78963297
(2R)-2-amino-3-[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 61142140
7-amino-N-cycloheptyl-N-methylheptanamide
CID 43614064
7-amino-N-cyclooctyl-N-methylheptanamide
CID 119763844

Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide?
The IUPAC name of N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide (CID 20752266) is N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide.
What is the SMILES notation for N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide?
The canonical SMILES for N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide is CC(C)N(C(=O)CCCCCCCCCCC(=O)N(C(C)C)C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide?
The InChIKey is WIMBNNLQEZYCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56N2O2/c1-25(2)31(27-19-13-11-14-20-27)29(33)23-17-9-7-5-6-8-10-18-24-30(34)32(26(3)4)28-21-15-12-16-22-28/h25-28H,5-24H2,1-4H3.
What are the key properties of N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide?
N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide has a molecular weight of 476.79 g/mol, XLogP of 8.03, 15 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'-di(propan-2-yl)dodecanediamide is sourced from PubChem (CID 20752266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).