4-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide

C18H27N3O2 — CID 119313817

IUPAC4-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide
SMILESNCc1ccc(C(=O)NCCNC(=O)CC2CCCCC2)cc1
InChIInChI=1S/C18H27N3O2/c19-13-15-6-8-16(9-7-15)18(23)21-11-10-20-17(22)12-14-4-2-1-3-5-14/h6-9,14H,1-5,10-13,19H2,(H,20,22)(H,21,23)
InChIKeyQETPGXNCCIRGSC-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.96
Rot. Bonds7

About 4-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide

4-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide (PubChem CID 119313817) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide
PubChem CID119313817
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name4-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide
SMILESNCc1ccc(C(=O)NCCNC(=O)CC2CCCCC2)cc1
InChIInChI=1S/C18H27N3O2/c19-13-15-6-8-16(9-7-15)18(23)21-11-10-20-17(22)12-14-4-2-1-3-5-14/h6-9,14H,1-5,10-13,19H2,(H,20,22)(H,21,23)
InChIKeyQETPGXNCCIRGSC-UHFFFAOYSA-N
XLogP1.96
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.96
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

3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide;hydrochloride
CID 119766801
N-[3-[(2-cyclopentylacetyl)amino]propyl]-4-hydroxybenzamide
CID 100669857
2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide
CID 119945219
3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313805
2-cyclopentyl-N-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]acetamide
CID 98231617
N-[2-(4-chlorophenyl)ethyl]-2-cyclohexylacetamide
CID 112789122
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-cycloheptylacetamide
CID 114456992
2-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119766803
N-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide
CID 113265633
6-[2-[(2-cyclopentylacetyl)amino]ethylamino]-N-propylpyridine-3-carboxamide
CID 71876136
1-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]cyclohexane-1-carboxamide
CID 119313827
N-(3-aminopropyl)-2-cyclopentylacetamide
CID 24706958

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide (CID 119313817) is 4-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide is NCc1ccc(C(=O)NCCNC(=O)CC2CCCCC2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide?
The InChIKey is QETPGXNCCIRGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c19-13-15-6-8-16(9-7-15)18(23)21-11-10-20-17(22)12-14-4-2-1-3-5-14/h6-9,14H,1-5,10-13,19H2,(H,20,22)(H,21,23).
What are the key properties of 4-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide?
4-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide has a molecular weight of 317.43 g/mol, XLogP of 1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide is sourced from PubChem (CID 119313817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).