N-(3-amino-2-methylpropyl)-3-(2,4,5-trimethylphenyl)propanamide

C16H26N2O — CID 115271746

IUPACN-(3-amino-2-methylpropyl)-3-(2,4,5-trimethylphenyl)propanamide
SMILESCc1cc(C)c(CCC(=O)NCC(C)CN)cc1C
InChIInChI=1S/C16H26N2O/c1-11(9-17)10-18-16(19)6-5-15-8-13(3)12(2)7-14(15)4/h7-8,11H,5-6,9-10,17H2,1-4H3,(H,18,19)
InChIKeyRSAINOVRXLPXAE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.26
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-3-(2,4,5-trimethylphenyl)propanamide

N-(3-amino-2-methylpropyl)-3-(2,4,5-trimethylphenyl)propanamide (PubChem CID 115271746) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-(2,4,5-trimethylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-(2,4,5-trimethylphenyl)propanamide
PubChem CID115271746
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(3-amino-2-methylpropyl)-3-(2,4,5-trimethylphenyl)propanamide
SMILESCc1cc(C)c(CCC(=O)NCC(C)CN)cc1C
InChIInChI=1S/C16H26N2O/c1-11(9-17)10-18-16(19)6-5-15-8-13(3)12(2)7-14(15)4/h7-8,11H,5-6,9-10,17H2,1-4H3,(H,18,19)
InChIKeyRSAINOVRXLPXAE-UHFFFAOYSA-N
XLogP2.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)propanamide
CID 119995938
3-(2,4,5-trimethylphenyl)propanehydrazide
CID 116843486
N-(3-amino-2-methylpropyl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 119995634
N-(3-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 119997065
N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide
CID 119995419
N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride
CID 119995418
N-(3-amino-2-methylpropyl)-3-(2,3-difluorophenyl)propanamide;hydrochloride
CID 119996136
N-[2-[(3-amino-2-methylpropyl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 119997514
N-(3-amino-2-methylpropyl)-4-(4-bromophenyl)butanamide
CID 115271775
2-amino-N-(3-amino-2-methylpropyl)acetamide
CID 130703152
N-(3-amino-2-methylpropyl)-3-[(2-phenylacetyl)amino]propanamide
CID 119996452
N'-(3-amino-2-methylpropyl)-N-propylbutanediamide
CID 119998426

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-(2,4,5-trimethylphenyl)propanamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-(2,4,5-trimethylphenyl)propanamide (CID 115271746) is N-(3-amino-2-methylpropyl)-3-(2,4,5-trimethylphenyl)propanamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-(2,4,5-trimethylphenyl)propanamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-(2,4,5-trimethylphenyl)propanamide is Cc1cc(C)c(CCC(=O)NCC(C)CN)cc1C.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-(2,4,5-trimethylphenyl)propanamide?
The InChIKey is RSAINOVRXLPXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(9-17)10-18-16(19)6-5-15-8-13(3)12(2)7-14(15)4/h7-8,11H,5-6,9-10,17H2,1-4H3,(H,18,19).
What are the key properties of N-(3-amino-2-methylpropyl)-3-(2,4,5-trimethylphenyl)propanamide?
N-(3-amino-2-methylpropyl)-3-(2,4,5-trimethylphenyl)propanamide has a molecular weight of 262.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-(2,4,5-trimethylphenyl)propanamide is sourced from PubChem (CID 115271746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).