3-amino-N-[[4-(2-methylpropyl)phenyl]methyl]propanamide

C14H22N2O — CID 98783951

IUPAC3-amino-N-[[4-(2-methylpropyl)phenyl]methyl]propanamide
SMILESCC(C)Cc1ccc(CNC(=O)CCN)cc1
InChIInChI=1S/C14H22N2O/c1-11(2)9-12-3-5-13(6-4-12)10-16-14(17)7-8-15/h3-6,11H,7-10,15H2,1-2H3,(H,16,17)
InChIKeyZBNXJOCCMPWYQY-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.85
Rot. Bonds6

About 3-amino-N-[[4-(2-methylpropyl)phenyl]methyl]propanamide

3-amino-N-[[4-(2-methylpropyl)phenyl]methyl]propanamide (PubChem CID 98783951) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-amino-N-[[4-(2-methylpropyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[4-(2-methylpropyl)phenyl]methyl]propanamide
PubChem CID98783951
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-amino-N-[[4-(2-methylpropyl)phenyl]methyl]propanamide
SMILESCC(C)Cc1ccc(CNC(=O)CCN)cc1
InChIInChI=1S/C14H22N2O/c1-11(2)9-12-3-5-13(6-4-12)10-16-14(17)7-8-15/h3-6,11H,7-10,15H2,1-2H3,(H,16,17)
InChIKeyZBNXJOCCMPWYQY-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide
CID 119289487
[2-(benzylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate
CID 8538197
6-amino-N-[(4-ethylphenyl)methyl]-4-methylhexanamide
CID 106899790
N-(2-aminoethyl)-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride
CID 119384014
(2S)-2-amino-3-[4-[(3-methylbutanoylamino)methyl]phenyl]propanoic acid
CID 58987527
3-amino-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide
CID 98784387
3-amino-N-[[4-(2-methylphenyl)phenyl]methyl]propanamide;hydrochloride
CID 163408499
N-[3-[(3-aminopropanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119301478
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
CID 107231147
N-(3-amino-2-methylpropyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 115271670
4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride
CID 120558836
N-[(4-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 162646835

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(2-methylpropyl)phenyl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[4-(2-methylpropyl)phenyl]methyl]propanamide (CID 98783951) is 3-amino-N-[[4-(2-methylpropyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[4-(2-methylpropyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[4-(2-methylpropyl)phenyl]methyl]propanamide is CC(C)Cc1ccc(CNC(=O)CCN)cc1.
What is the InChIKey of 3-amino-N-[[4-(2-methylpropyl)phenyl]methyl]propanamide?
The InChIKey is ZBNXJOCCMPWYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)9-12-3-5-13(6-4-12)10-16-14(17)7-8-15/h3-6,11H,7-10,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-[[4-(2-methylpropyl)phenyl]methyl]propanamide?
3-amino-N-[[4-(2-methylpropyl)phenyl]methyl]propanamide has a molecular weight of 234.34 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(2-methylpropyl)phenyl]methyl]propanamide is sourced from PubChem (CID 98783951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).