N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride

C15H24ClN3O2 — CID 119725929

IUPACN-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCC(=O)NCCCNC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-11(14(16)13-7-4-3-5-8-13)15(20)18-10-6-9-17-12(2)19;/h3-5,7-8,11,14H,6,9-10,16H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyAYJSACTWCSZDDX-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.39
Rot. Bonds7

About N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride

N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119725929) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119725929
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC NameN-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCC(=O)NCCCNC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-11(14(16)13-7-4-3-5-8-13)15(20)18-10-6-9-17-12(2)19;/h3-5,7-8,11,14H,6,9-10,16H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyAYJSACTWCSZDDX-UHFFFAOYSA-N
XLogP1.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.39
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

4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]butanoic acid
CID 80552213
3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide
CID 107317767
3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119722375
3-amino-N-(5,5-dimethylhexyl)-2-methyl-3-phenylpropanamide
CID 119775743
3-amino-2-methyl-N-[3-(2-methylpropoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119693609
methyl 6-[(3-amino-2-methyl-3-phenylpropanoyl)amino]hexanoate
CID 119686216
3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide
CID 115737917
3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide;trihydrochloride
CID 119901081
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917
3-amino-2-methyl-3-phenyl-N-[4-(pyridin-2-ylamino)butyl]propanamide;dihydrochloride
CID 119874678
3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706690

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride (CID 119725929) is N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride is CC(=O)NCCCNC(=O)C(C)C(N)c1ccccc1.Cl.
What is the InChIKey of N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is AYJSACTWCSZDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-11(14(16)13-7-4-3-5-8-13)15(20)18-10-6-9-17-12(2)19;/h3-5,7-8,11,14H,6,9-10,16H2,1-2H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride?
N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119725929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).