1-(7-aminoheptanoylamino)-N,N-diethylcyclohexane-1-carboxamide

C18H35N3O2 — CID 119743931

IUPAC1-(7-aminoheptanoylamino)-N,N-diethylcyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1(NC(=O)CCCCCCN)CCCCC1
InChIInChI=1S/C18H35N3O2/c1-3-21(4-2)17(23)18(13-9-7-10-14-18)20-16(22)12-8-5-6-11-15-19/h3-15,19H2,1-2H3,(H,20,22)
InChIKeyZCYZKJOVNXNGJP-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.58
Rot. Bonds10

About 1-(7-aminoheptanoylamino)-N,N-diethylcyclohexane-1-carboxamide

1-(7-aminoheptanoylamino)-N,N-diethylcyclohexane-1-carboxamide (PubChem CID 119743931) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 1-(7-aminoheptanoylamino)-N,N-diethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(7-aminoheptanoylamino)-N,N-diethylcyclohexane-1-carboxamide
PubChem CID119743931
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name1-(7-aminoheptanoylamino)-N,N-diethylcyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1(NC(=O)CCCCCCN)CCCCC1
InChIInChI=1S/C18H35N3O2/c1-3-21(4-2)17(23)18(13-9-7-10-14-18)20-16(22)12-8-5-6-11-15-19/h3-15,19H2,1-2H3,(H,20,22)
InChIKeyZCYZKJOVNXNGJP-UHFFFAOYSA-N
XLogP2.58
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.58
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

N,N-diethyl-1-[4-(methylamino)butanoylamino]cyclohexane-1-carboxamide
CID 119743937
1-[(2-aminoacetyl)amino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride
CID 119300648
1-(4-aminobutanoylamino)cyclohexane-1-carboxamide
CID 119296103
methyl 1-(4-aminobutanoylamino)cyclopentane-1-carboxylate;hydrochloride
CID 119279003
1-(nonanoylamino)cyclohexane-1-carboxylic acid
CID 43350921
1-(nonanoylamino)cycloheptane-1-carboxylic acid
CID 43172633
6-amino-N-[1-(hydroxymethyl)cyclohexyl]hexanamide
CID 55086608
N-(1-carbamothioylcyclohexyl)heptanamide
CID 114752752
N-(1-carbamothioylcyclohexyl)octanamide
CID 61120541
1-(hexanoylamino)cycloheptane-1-carboxylic acid
CID 43341577
N,N-diethyl-1-(3-pyridin-3-ylpropanoylamino)cyclohexane-1-carboxamide
CID 86821414
N-(1-carbamothioylcyclopentyl)hexanamide
CID 61121113

Frequently Asked Questions

What is the IUPAC name of 1-(7-aminoheptanoylamino)-N,N-diethylcyclohexane-1-carboxamide?
The IUPAC name of 1-(7-aminoheptanoylamino)-N,N-diethylcyclohexane-1-carboxamide (CID 119743931) is 1-(7-aminoheptanoylamino)-N,N-diethylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(7-aminoheptanoylamino)-N,N-diethylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(7-aminoheptanoylamino)-N,N-diethylcyclohexane-1-carboxamide is CCN(CC)C(=O)C1(NC(=O)CCCCCCN)CCCCC1.
What is the InChIKey of 1-(7-aminoheptanoylamino)-N,N-diethylcyclohexane-1-carboxamide?
The InChIKey is ZCYZKJOVNXNGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-3-21(4-2)17(23)18(13-9-7-10-14-18)20-16(22)12-8-5-6-11-15-19/h3-15,19H2,1-2H3,(H,20,22).
What are the key properties of 1-(7-aminoheptanoylamino)-N,N-diethylcyclohexane-1-carboxamide?
1-(7-aminoheptanoylamino)-N,N-diethylcyclohexane-1-carboxamide has a molecular weight of 325.50 g/mol, XLogP of 2.58, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-aminoheptanoylamino)-N,N-diethylcyclohexane-1-carboxamide is sourced from PubChem (CID 119743931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).