N-(2-aminoethyl)-2-[(2-cycloheptylacetyl)amino]benzamide

C18H27N3O2 — CID 120604092

IUPACN-(2-aminoethyl)-2-[(2-cycloheptylacetyl)amino]benzamide
SMILESNCCNC(=O)c1ccccc1NC(=O)CC1CCCCCC1
InChIInChI=1S/C18H27N3O2/c19-11-12-20-18(23)15-9-5-6-10-16(15)21-17(22)13-14-7-3-1-2-4-8-14/h5-6,9-10,14H,1-4,7-8,11-13,19H2,(H,20,23)(H,21,22)
InChIKeyZWWNXPGBAFZIFV-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.67
Rot. Bonds6

About N-(2-aminoethyl)-2-[(2-cycloheptylacetyl)amino]benzamide

N-(2-aminoethyl)-2-[(2-cycloheptylacetyl)amino]benzamide (PubChem CID 120604092) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[(2-cycloheptylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[(2-cycloheptylacetyl)amino]benzamide
PubChem CID120604092
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-(2-aminoethyl)-2-[(2-cycloheptylacetyl)amino]benzamide
SMILESNCCNC(=O)c1ccccc1NC(=O)CC1CCCCCC1
InChIInChI=1S/C18H27N3O2/c19-11-12-20-18(23)15-9-5-6-10-16(15)21-17(22)13-14-7-3-1-2-4-8-14/h5-6,9-10,14H,1-4,7-8,11-13,19H2,(H,20,23)(H,21,22)
InChIKeyZWWNXPGBAFZIFV-UHFFFAOYSA-N
XLogP2.67
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]benzamide;hydrochloride
CID 120604302
2-[(2-cyclohexylacetyl)amino]-N-cyclopropylbenzamide
CID 34280929
N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 120604417
2-[(2-cycloheptylacetyl)amino]benzoic acid
CID 114457097
N-(2-aminoethyl)-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide
CID 120604447
N-(2-aminoethyl)-2-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetyl]amino]benzamide;hydrochloride
CID 120603377
N-(2-aminophenyl)-2-cyclopentylacetamide;hydrochloride
CID 119259903
2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide
CID 119945219
N-(2-aminoethyl)-2-[(2-methylcyclopentanecarbonyl)amino]benzamide
CID 107181192
N-(2-aminoethyl)-2-(but-3-enoylamino)benzamide
CID 106999671
2-cyclohexyl-N-(2-phenylphenyl)acetamide
CID 1317156
N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide
CID 120604437

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[(2-cycloheptylacetyl)amino]benzamide?
The IUPAC name of N-(2-aminoethyl)-2-[(2-cycloheptylacetyl)amino]benzamide (CID 120604092) is N-(2-aminoethyl)-2-[(2-cycloheptylacetyl)amino]benzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[(2-cycloheptylacetyl)amino]benzamide?
The canonical SMILES for N-(2-aminoethyl)-2-[(2-cycloheptylacetyl)amino]benzamide is NCCNC(=O)c1ccccc1NC(=O)CC1CCCCCC1.
What is the InChIKey of N-(2-aminoethyl)-2-[(2-cycloheptylacetyl)amino]benzamide?
The InChIKey is ZWWNXPGBAFZIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c19-11-12-20-18(23)15-9-5-6-10-16(15)21-17(22)13-14-7-3-1-2-4-8-14/h5-6,9-10,14H,1-4,7-8,11-13,19H2,(H,20,23)(H,21,22).
What are the key properties of N-(2-aminoethyl)-2-[(2-cycloheptylacetyl)amino]benzamide?
N-(2-aminoethyl)-2-[(2-cycloheptylacetyl)amino]benzamide has a molecular weight of 317.43 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[(2-cycloheptylacetyl)amino]benzamide is sourced from PubChem (CID 120604092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).