N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride

C19H30ClN3O2 — CID 119619460

IUPACN-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
SMILESCl.O=C(CNC(=O)Cc1ccccc1)NCCNC1CCCCCC1
InChIInChI=1S/C19H29N3O2.ClH/c23-18(14-16-8-4-3-5-9-16)22-15-19(24)21-13-12-20-17-10-6-1-2-7-11-17;/h3-5,8-9,17,20H,1-2,6-7,10-15H2,(H,21,24)(H,22,23);1H
InChIKeyVYSRGABURGRJOX-UHFFFAOYSA-N
MW367.92 g/mol
LogP2.20
Rot. Bonds8

About N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride

N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride (PubChem CID 119619460) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
PubChem CID119619460
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC NameN-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
SMILESCl.O=C(CNC(=O)Cc1ccccc1)NCCNC1CCCCCC1
InChIInChI=1S/C19H29N3O2.ClH/c23-18(14-16-8-4-3-5-9-16)22-15-19(24)21-13-12-20-17-10-6-1-2-7-11-17;/h3-5,8-9,17,20H,1-2,6-7,10-15H2,(H,21,24)(H,22,23);1H
InChIKeyVYSRGABURGRJOX-UHFFFAOYSA-N
XLogP2.20
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 52.20
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-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 119620405
N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylacetamide
CID 51160966
N-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide
CID 78987135
N-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119261120
N-[3-(cyclopropylamino)propyl]-2-phenylacetamide
CID 43596486
N-[2-(cycloheptylamino)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 119619459
N-[2-(cycloheptylamino)ethyl]-3-phenoxypropanamide;hydrochloride
CID 119620109
N-[2-(cycloheptylamino)ethyl]-2-(3-methoxyphenyl)acetamide
CID 119619150
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(cycloheptylamino)ethyl]acetamide
CID 119619930
N-benzyl-2-(cyclopentylamino)acetamide
CID 43084459
N-[2-(cycloheptylamino)ethyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119620018

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride?
The IUPAC name of N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride (CID 119619460) is N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride?
The canonical SMILES for N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride is Cl.O=C(CNC(=O)Cc1ccccc1)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride?
The InChIKey is VYSRGABURGRJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c23-18(14-16-8-4-3-5-9-16)22-15-19(24)21-13-12-20-17-10-6-1-2-7-11-17;/h3-5,8-9,17,20H,1-2,6-7,10-15H2,(H,21,24)(H,22,23);1H.
What are the key properties of N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride?
N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 2.20, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 119619460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).