N-[3-(aminomethyl)pentan-3-yl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride

C17H28ClN3O2 — CID 119568709

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CCNC(=O)Cc1ccccc1.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-3-17(4-2,13-18)20-15(21)10-11-19-16(22)12-14-8-6-5-7-9-14;/h5-9H,3-4,10-13,18H2,1-2H3,(H,19,22)(H,20,21);1H
InChIKeyCWJLGLHVWUJKOU-UHFFFAOYSA-N
MW341.88 g/mol
LogP1.79
Rot. Bonds9

About N-[3-(aminomethyl)pentan-3-yl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride (PubChem CID 119568709) has the molecular formula C17H28ClN3O2 and a molecular weight of 341.88 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
PubChem CID119568709
Molecular FormulaC17H28ClN3O2
Molecular Weight341.88 g/mol
Exact Mass341.19
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CCNC(=O)Cc1ccccc1.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-3-17(4-2,13-18)20-15(21)10-11-19-16(22)12-14-8-6-5-7-9-14;/h5-9H,3-4,10-13,18H2,1-2H3,(H,19,22)(H,20,21);1H
InChIKeyCWJLGLHVWUJKOU-UHFFFAOYSA-N
XLogP1.79
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3-phenylmethoxypropanamide;hydrochloride
CID 119569536
N-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride
CID 119568655
N-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide
CID 63765909
N-[3-(aminomethyl)pentan-3-yl]-3-naphthalen-2-ylpropanamide
CID 119571535
N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)acetamide;hydrochloride
CID 119571282
3-[3-[(2-phenylacetyl)amino]propanoylamino]propanoic acid
CID 119177045
N-[3-(aminomethyl)pentan-3-yl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride
CID 119571605
N-(3-amino-2-methylpropyl)-3-[(2-phenylacetyl)amino]propanamide
CID 119996452
N-[3-(aminomethyl)pentan-3-yl]-3-methyl-3-phenylbutanamide
CID 119571116
N-[3-(aminomethyl)pentan-3-yl]-2-phenylsulfanylacetamide
CID 63887570
benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399
N-[3-(aminomethyl)pentan-3-yl]-2-(2-ethylphenoxy)acetamide;hydrochloride
CID 119569079

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride (CID 119568709) is N-[3-(aminomethyl)pentan-3-yl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride is CCC(CC)(CN)NC(=O)CCNC(=O)Cc1ccccc1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride?
The InChIKey is CWJLGLHVWUJKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.ClH/c1-3-17(4-2,13-18)20-15(21)10-11-19-16(22)12-14-8-6-5-7-9-14;/h5-9H,3-4,10-13,18H2,1-2H3,(H,19,22)(H,20,21);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 1.79, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride is sourced from PubChem (CID 119568709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).