1-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]cyclohexane-1-carboxamide

C17H31N3O2 — CID 119313827

IUPAC1-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCCNC(=O)CC2CCCCC2)CCCCC1
InChIInChI=1S/C17H31N3O2/c18-17(9-5-2-6-10-17)16(22)20-12-11-19-15(21)13-14-7-3-1-4-8-14/h14H,1-13,18H2,(H,19,21)(H,20,22)
InChIKeyKCYQCGOELDXQLO-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.85
Rot. Bonds6

About 1-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]cyclohexane-1-carboxamide

1-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]cyclohexane-1-carboxamide (PubChem CID 119313827) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]cyclohexane-1-carboxamide
PubChem CID119313827
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name1-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCCNC(=O)CC2CCCCC2)CCCCC1
InChIInChI=1S/C17H31N3O2/c18-17(9-5-2-6-10-17)16(22)20-12-11-19-15(21)13-14-7-3-1-4-8-14/h14H,1-13,18H2,(H,19,21)(H,20,22)
InChIKeyKCYQCGOELDXQLO-UHFFFAOYSA-N
XLogP1.85
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-cyclopentylacetyl)amino]ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110921981
1-amino-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide
CID 81179239
1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 115733626
3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313805
2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119432481
(2R)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313821
(2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313801
1-amino-N-[3-(cyclohexylamino)-3-oxopropyl]cyclopentane-1-carboxamide;hydrochloride
CID 119299492
2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 114458404
1-amino-N-(2-cycloheptyloxyethyl)cyclopentane-1-carboxamide
CID 119325369
N-(3-aminopropyl)-2-cyclopentylacetamide
CID 24706958
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclopentylacetamide
CID 115456696

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]cyclohexane-1-carboxamide (CID 119313827) is 1-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]cyclohexane-1-carboxamide is NC1(C(=O)NCCNC(=O)CC2CCCCC2)CCCCC1.
What is the InChIKey of 1-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]cyclohexane-1-carboxamide?
The InChIKey is KCYQCGOELDXQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c18-17(9-5-2-6-10-17)16(22)20-12-11-19-15(21)13-14-7-3-1-4-8-14/h14H,1-13,18H2,(H,19,21)(H,20,22).
What are the key properties of 1-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]cyclohexane-1-carboxamide?
1-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]cyclohexane-1-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119313827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).