N-(1-aminobutan-2-yl)-3-(3-methylphenyl)propanamide

C14H22N2O — CID 63754828

IUPACN-(1-aminobutan-2-yl)-3-(3-methylphenyl)propanamide
SMILESCCC(CN)NC(=O)CCc1cccc(C)c1
InChIInChI=1S/C14H22N2O/c1-3-13(10-15)16-14(17)8-7-12-6-4-5-11(2)9-12/h4-6,9,13H,3,7-8,10,15H2,1-2H3,(H,16,17)
InChIKeyOVRORHFORACGAK-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.78
Rot. Bonds6

About N-(1-aminobutan-2-yl)-3-(3-methylphenyl)propanamide

N-(1-aminobutan-2-yl)-3-(3-methylphenyl)propanamide (PubChem CID 63754828) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-3-(3-methylphenyl)propanamide
PubChem CID63754828
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(1-aminobutan-2-yl)-3-(3-methylphenyl)propanamide
SMILESCCC(CN)NC(=O)CCc1cccc(C)c1
InChIInChI=1S/C14H22N2O/c1-3-13(10-15)16-14(17)8-7-12-6-4-5-11(2)9-12/h4-6,9,13H,3,7-8,10,15H2,1-2H3,(H,16,17)
InChIKeyOVRORHFORACGAK-UHFFFAOYSA-N
XLogP1.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide
CID 63753250
N-(1-hydroxypentan-3-yl)-3-(3-methylphenyl)propanamide
CID 115767191
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide
CID 51315397
N-(2-chloro-1-phenylethyl)-3-(3-methylphenyl)propanamide
CID 114300070
N-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide
CID 65193942
N-(5-bromopentan-2-yl)-3-(3-methylphenyl)propanamide
CID 113276046
3-(3-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82726212
N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119404890
N-[1-(4-bromophenyl)ethyl]-3-(3-methylphenyl)propanamide
CID 60700309
N-(1-aminohexan-2-yl)-3-(3-methoxyphenyl)propanamide;hydrochloride
CID 119668074
2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanamide
CID 114152434
N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-methylphenyl)acetamide
CID 76947804

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-3-(3-methylphenyl)propanamide?
The IUPAC name of N-(1-aminobutan-2-yl)-3-(3-methylphenyl)propanamide (CID 63754828) is N-(1-aminobutan-2-yl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-3-(3-methylphenyl)propanamide is CCC(CN)NC(=O)CCc1cccc(C)c1.
What is the InChIKey of N-(1-aminobutan-2-yl)-3-(3-methylphenyl)propanamide?
The InChIKey is OVRORHFORACGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-13(10-15)16-14(17)8-7-12-6-4-5-11(2)9-12/h4-6,9,13H,3,7-8,10,15H2,1-2H3,(H,16,17).
What are the key properties of N-(1-aminobutan-2-yl)-3-(3-methylphenyl)propanamide?
N-(1-aminobutan-2-yl)-3-(3-methylphenyl)propanamide has a molecular weight of 234.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 63754828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).