N,N-diethyl-1-[4-(methylamino)butanoylamino]cyclohexane-1-carboxamide

C16H31N3O2 — CID 119743937

IUPACN,N-diethyl-1-[4-(methylamino)butanoylamino]cyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1(NC(=O)CCCNC)CCCCC1
InChIInChI=1S/C16H31N3O2/c1-4-19(5-2)15(21)16(11-7-6-8-12-16)18-14(20)10-9-13-17-3/h17H,4-13H2,1-3H3,(H,18,20)
InChIKeyMSEDQGBPKOYCNV-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.67
Rot. Bonds8

About N,N-diethyl-1-[4-(methylamino)butanoylamino]cyclohexane-1-carboxamide

N,N-diethyl-1-[4-(methylamino)butanoylamino]cyclohexane-1-carboxamide (PubChem CID 119743937) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N,N-diethyl-1-[4-(methylamino)butanoylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[4-(methylamino)butanoylamino]cyclohexane-1-carboxamide
PubChem CID119743937
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN,N-diethyl-1-[4-(methylamino)butanoylamino]cyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1(NC(=O)CCCNC)CCCCC1
InChIInChI=1S/C16H31N3O2/c1-4-19(5-2)15(21)16(11-7-6-8-12-16)18-14(20)10-9-13-17-3/h17H,4-13H2,1-3H3,(H,18,20)
InChIKeyMSEDQGBPKOYCNV-UHFFFAOYSA-N
XLogP1.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(7-aminoheptanoylamino)-N,N-diethylcyclohexane-1-carboxamide
CID 119743931
1-[(2-aminoacetyl)amino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride
CID 119300648
1-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-N,N-diethylcyclohexane-1-carboxamide
CID 55981090
N,N-diethyl-1-(3-pyridin-3-ylpropanoylamino)cyclohexane-1-carboxamide
CID 86821414
1-(hexanoylamino)cycloheptane-1-carboxylic acid
CID 43341577
1-(nonanoylamino)cyclohexane-1-carboxylic acid
CID 43350921
1-(nonanoylamino)cycloheptane-1-carboxylic acid
CID 43172633
2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid
CID 64702109
N,N-diethyl-1-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]cyclohexane-1-carboxamide
CID 55983584
4-bromo-N-[1-(diethylcarbamoyl)cyclohexyl]-3,5-dimethoxybenzamide
CID 55982692
N,N-diethyl-1-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]cyclohexane-1-carboxamide
CID 55980445
1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-N,N-diethylcyclohexane-1-carboxamide
CID 86955646

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[4-(methylamino)butanoylamino]cyclohexane-1-carboxamide?
The IUPAC name of N,N-diethyl-1-[4-(methylamino)butanoylamino]cyclohexane-1-carboxamide (CID 119743937) is N,N-diethyl-1-[4-(methylamino)butanoylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[4-(methylamino)butanoylamino]cyclohexane-1-carboxamide?
The canonical SMILES for N,N-diethyl-1-[4-(methylamino)butanoylamino]cyclohexane-1-carboxamide is CCN(CC)C(=O)C1(NC(=O)CCCNC)CCCCC1.
What is the InChIKey of N,N-diethyl-1-[4-(methylamino)butanoylamino]cyclohexane-1-carboxamide?
The InChIKey is MSEDQGBPKOYCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-19(5-2)15(21)16(11-7-6-8-12-16)18-14(20)10-9-13-17-3/h17H,4-13H2,1-3H3,(H,18,20).
What are the key properties of N,N-diethyl-1-[4-(methylamino)butanoylamino]cyclohexane-1-carboxamide?
N,N-diethyl-1-[4-(methylamino)butanoylamino]cyclohexane-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[4-(methylamino)butanoylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 119743937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).