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

C17H25N3O2 — CID 119945219

IUPAC2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide
SMILESNc1ccccc1C(=O)NCCNC(=O)CC1CCCCC1
InChIInChI=1S/C17H25N3O2/c18-15-9-5-4-8-14(15)17(22)20-11-10-19-16(21)12-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12,18H2,(H,19,21)(H,20,22)
InChIKeyKXRRVCDABIQLPU-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.09
Rot. Bonds6

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

2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide (PubChem CID 119945219) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide
PubChem CID119945219
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide
SMILESNc1ccccc1C(=O)NCCNC(=O)CC1CCCCC1
InChIInChI=1S/C17H25N3O2/c18-15-9-5-4-8-14(15)17(22)20-11-10-19-16(21)12-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12,18H2,(H,19,21)(H,20,22)
InChIKeyKXRRVCDABIQLPU-UHFFFAOYSA-N
XLogP2.09
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(cyclohexylmethyl)benzamide
CID 43215482
N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(methoxymethyl)benzamide
CID 52844192
2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 115747449
3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide;hydrochloride
CID 119766801
N-(2-aminoethyl)-2-[(2-cycloheptylacetyl)amino]benzamide
CID 120604092
N-(2-aminoethyl)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]benzamide;hydrochloride
CID 120604302
4-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide
CID 119313817
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide
CID 60981646
3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313805
2-amino-N-(2-cyclohexyl-2-hydroxyethyl)benzamide
CID 119944694
3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-3-phenylpropanamide;hydrochloride
CID 119951028
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide?
The IUPAC name of 2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide (CID 119945219) is 2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide?
The canonical SMILES for 2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide is Nc1ccccc1C(=O)NCCNC(=O)CC1CCCCC1.
What is the InChIKey of 2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide?
The InChIKey is KXRRVCDABIQLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c18-15-9-5-4-8-14(15)17(22)20-11-10-19-16(21)12-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12,18H2,(H,19,21)(H,20,22).
What are the key properties of 2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide?
2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide has a molecular weight of 303.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide is sourced from PubChem (CID 119945219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).