N-[2-[(3-amino-2-methylpropyl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride

C16H26ClN3O2 — CID 119997514

IUPACN-[2-[(3-amino-2-methylpropyl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
SMILESCc1ccc(CCC(=O)NCC(=O)NCC(C)CN)cc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-12-3-5-14(6-4-12)7-8-15(20)19-11-16(21)18-10-13(2)9-17;/h3-6,13H,7-11,17H2,1-2H3,(H,18,21)(H,19,20);1H
InChIKeyVCJGFKUVPDADQB-UHFFFAOYSA-N
MW327.86 g/mol
LogP1.18
Rot. Bonds8

About N-[2-[(3-amino-2-methylpropyl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride

N-[2-[(3-amino-2-methylpropyl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride (PubChem CID 119997514) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is N-[2-[(3-amino-2-methylpropyl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(3-amino-2-methylpropyl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
PubChem CID119997514
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC NameN-[2-[(3-amino-2-methylpropyl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
SMILESCc1ccc(CCC(=O)NCC(=O)NCC(C)CN)cc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-12-3-5-14(6-4-12)7-8-15(20)19-11-16(21)18-10-13(2)9-17;/h3-6,13H,7-11,17H2,1-2H3,(H,18,21)(H,19,20);1H
InChIKeyVCJGFKUVPDADQB-UHFFFAOYSA-N
XLogP1.18
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 119995634
N-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide
CID 83032441
N-(3-amino-2-methylpropyl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119998237
N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)propanamide
CID 119995938
3-[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]-2-phenylpropanoic acid
CID 119254809
2-[3-(4-methylphenyl)propanoylamino]acetic acid
CID 43354539
N-(2-aminobutyl)-3-(4-methylphenyl)propanamide
CID 63733649
N-(3-amino-2-methylpropyl)-4-(4-bromophenyl)butanamide
CID 115271775
3-(4-methylphenyl)-N-(2-phenylpropyl)propanamide
CID 133229339
N-(3-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 114301818
N-(3,3-difluoro-2-hydroxypropyl)-3-(4-methylphenyl)propanamide
CID 113258582
N-(3-amino-2-methylpropyl)-3-(2,4,5-trimethylphenyl)propanamide
CID 115271746

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-2-methylpropyl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride?
The IUPAC name of N-[2-[(3-amino-2-methylpropyl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride (CID 119997514) is N-[2-[(3-amino-2-methylpropyl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-[2-[(3-amino-2-methylpropyl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for N-[2-[(3-amino-2-methylpropyl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride is Cc1ccc(CCC(=O)NCC(=O)NCC(C)CN)cc1.Cl.
What is the InChIKey of N-[2-[(3-amino-2-methylpropyl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride?
The InChIKey is VCJGFKUVPDADQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-12-3-5-14(6-4-12)7-8-15(20)19-11-16(21)18-10-13(2)9-17;/h3-6,13H,7-11,17H2,1-2H3,(H,18,21)(H,19,20);1H.
What are the key properties of N-[2-[(3-amino-2-methylpropyl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride?
N-[2-[(3-amino-2-methylpropyl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 1.18, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-2-methylpropyl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119997514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).