N-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride

C21H28ClN3O2 — CID 119548107

IUPACN-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)NCCc1ccc(N)cc1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-3-15(2)19(24-20(25)17-7-5-4-6-8-17)21(26)23-14-13-16-9-11-18(22)12-10-16;/h4-12,15,19H,3,13-14,22H2,1-2H3,(H,23,26)(H,24,25);1H
InChIKeySELZFYWQXGFFHX-UHFFFAOYSA-N
MW389.93 g/mol
LogP3.19
Rot. Bonds8

About N-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride

N-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride (PubChem CID 119548107) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is N-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
PubChem CID119548107
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC NameN-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)NCCc1ccc(N)cc1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-3-15(2)19(24-20(25)17-7-5-4-6-8-17)21(26)23-14-13-16-9-11-18(22)12-10-16;/h4-12,15,19H,3,13-14,22H2,1-2H3,(H,23,26)(H,24,25);1H
InChIKeySELZFYWQXGFFHX-UHFFFAOYSA-N
XLogP3.19
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride
CID 119548129
3-methoxy-N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
CID 42703712
N-[(2S,3S)-1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 24549048
N-[1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 51143908
N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 119528058
benzyl 2-[[(2S,3S)-2-benzamido-3-methylpentanoyl]amino]acetate
CID 7613309
N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride
CID 119547405
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
N-[1-[[(2S)-1-aminopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 120507870
N-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide;hydrochloride
CID 119548063
N-[1-[2-(1-benzothiophen-3-yl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 112837070
N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119665970

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride?
The IUPAC name of N-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride (CID 119548107) is N-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride?
The canonical SMILES for N-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride is CCC(C)C(NC(=O)c1ccccc1)C(=O)NCCc1ccc(N)cc1.Cl.
What is the InChIKey of N-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride?
The InChIKey is SELZFYWQXGFFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.ClH/c1-3-15(2)19(24-20(25)17-7-5-4-6-8-17)21(26)23-14-13-16-9-11-18(22)12-10-16;/h4-12,15,19H,3,13-14,22H2,1-2H3,(H,23,26)(H,24,25);1H.
What are the key properties of N-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride?
N-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride has a molecular weight of 389.93 g/mol, XLogP of 3.19, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 119548107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).