N-(3-amino-4-methylpentyl)-N-methyl-3-[(2-phenylacetyl)amino]propanamide;hydrochloride

C18H30ClN3O2 — CID 119657358

IUPACN-(3-amino-4-methylpentyl)-N-methyl-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CCNC(=O)Cc1ccccc1.Cl
InChIInChI=1S/C18H29N3O2.ClH/c1-14(2)16(19)10-12-21(3)18(23)9-11-20-17(22)13-15-7-5-4-6-8-15;/h4-8,14,16H,9-13,19H2,1-3H3,(H,20,22);1H
InChIKeyFLUVGIWROPNAHO-UHFFFAOYSA-N
MW355.91 g/mol
LogP1.99
Rot. Bonds9

About N-(3-amino-4-methylpentyl)-N-methyl-3-[(2-phenylacetyl)amino]propanamide;hydrochloride

N-(3-amino-4-methylpentyl)-N-methyl-3-[(2-phenylacetyl)amino]propanamide;hydrochloride (PubChem CID 119657358) has the molecular formula C18H30ClN3O2 and a molecular weight of 355.91 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-3-[(2-phenylacetyl)amino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
PubChem CID119657358
Molecular FormulaC18H30ClN3O2
Molecular Weight355.91 g/mol
Exact Mass355.20
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CCNC(=O)Cc1ccccc1.Cl
InChIInChI=1S/C18H29N3O2.ClH/c1-14(2)16(19)10-12-21(3)18(23)9-11-20-17(22)13-15-7-5-4-6-8-15;/h4-8,14,16H,9-13,19H2,1-3H3,(H,20,22);1H
InChIKeyFLUVGIWROPNAHO-UHFFFAOYSA-N
XLogP1.99
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119657837
N-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride
CID 119658945
N-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide
CID 119659415
N-methyl-3-[(2-phenylacetyl)amino]-N-(2-pyrimidin-2-ylethyl)propanamide
CID 138013236
N-[(2S)-2-amino-3-methylbutyl]-2-phenylacetamide
CID 66969308
N-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 81484430
N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-4-chlorobenzamide
CID 119659439
N-(3-amino-4-methylpentyl)-N-methyl-2-phenoxyacetamide
CID 81485024
N-(3-amino-4-methylpentyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119657817
N-(3-amino-4-methylpentyl)-N-methyl-3-pyridin-4-ylpropanamide
CID 81484685
N-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride
CID 119659612
N-(3-amino-4-methylpentyl)-N-methyl-4-(2-methylphenoxy)butanamide;hydrochloride
CID 119661185

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-3-[(2-phenylacetyl)amino]propanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-3-[(2-phenylacetyl)amino]propanamide;hydrochloride (CID 119657358) is N-(3-amino-4-methylpentyl)-N-methyl-3-[(2-phenylacetyl)amino]propanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-3-[(2-phenylacetyl)amino]propanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-3-[(2-phenylacetyl)amino]propanamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)CCNC(=O)Cc1ccccc1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-3-[(2-phenylacetyl)amino]propanamide;hydrochloride?
The InChIKey is FLUVGIWROPNAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.ClH/c1-14(2)16(19)10-12-21(3)18(23)9-11-20-17(22)13-15-7-5-4-6-8-15;/h4-8,14,16H,9-13,19H2,1-3H3,(H,20,22);1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-3-[(2-phenylacetyl)amino]propanamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-3-[(2-phenylacetyl)amino]propanamide;hydrochloride has a molecular weight of 355.91 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-3-[(2-phenylacetyl)amino]propanamide;hydrochloride is sourced from PubChem (CID 119657358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).