N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide

C14H22N2O — CID 112701398

IUPACN-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide
SMILESCC(CN)N(C)C(=O)CCCc1ccccc1
InChIInChI=1S/C14H22N2O/c1-12(11-15)16(2)14(17)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11,15H2,1-2H3
InChIKeyLZIQQPTWAMHMDH-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.81
Rot. Bonds6

About N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide

N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide (PubChem CID 112701398) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide
PubChem CID112701398
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide
SMILESCC(CN)N(C)C(=O)CCCc1ccccc1
InChIInChI=1S/C14H22N2O/c1-12(11-15)16(2)14(17)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11,15H2,1-2H3
InChIKeyLZIQQPTWAMHMDH-UHFFFAOYSA-N
XLogP1.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-4-(4-methylphenyl)butanamide
CID 119584493
N-(1-hydroxypropan-2-yl)-N-methyl-4-phenylbutanamide
CID 113337561
N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 78884220
N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylphenyl)pentanamide
CID 119582075
N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide
CID 119581308
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 119585107
N-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119585067
N-[4-[1-aminopropan-2-yl(methyl)amino]-4-oxobutyl]benzamide;hydrochloride
CID 119585085
2-amino-N-[4-(cyclodecapentaenyl)butan-2-yl]-N-methylacetamide
CID 123171697
N-(1-aminopropan-2-yl)-N-methyl-3-pyridin-4-ylpropanamide;dihydrochloride
CID 119582548
N-(1-aminopropan-2-yl)-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137122484
N-(1-aminopropan-2-yl)-N-methyl-3-naphthalen-2-ylpropanamide;hydrochloride
CID 119584639

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide (CID 112701398) is N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide is CC(CN)N(C)C(=O)CCCc1ccccc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide?
The InChIKey is LZIQQPTWAMHMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12(11-15)16(2)14(17)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11,15H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide?
N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide has a molecular weight of 234.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide is sourced from PubChem (CID 112701398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).