N-methyl-4-phenyl-N-propan-2-ylbutanamide

C14H21NO — CID 78884220

IUPACN-methyl-4-phenyl-N-propan-2-ylbutanamide
SMILESCC(C)N(C)C(=O)CCCc1ccccc1
InChIInChI=1S/C14H21NO/c1-12(2)15(3)14(16)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3
InChIKeyKPEKLHKEMAAMHD-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.88
Rot. Bonds5

About N-methyl-4-phenyl-N-propan-2-ylbutanamide

N-methyl-4-phenyl-N-propan-2-ylbutanamide (PubChem CID 78884220) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-4-phenyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-methyl-4-phenyl-N-propan-2-ylbutanamide
PubChem CID78884220
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-methyl-4-phenyl-N-propan-2-ylbutanamide
SMILESCC(C)N(C)C(=O)CCCc1ccccc1
InChIInChI=1S/C14H21NO/c1-12(2)15(3)14(16)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3
InChIKeyKPEKLHKEMAAMHD-UHFFFAOYSA-N
XLogP2.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-hydroxypropan-2-yl)-N-methyl-4-phenylbutanamide
CID 113337561
N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide
CID 112701398
3-[4-phenylbutanoyl(propan-2-yl)amino]propanoic acid
CID 60830563
N-(3-hydroxybutyl)-N-methyl-4-phenylbutanamide
CID 111695751
N-(2-bromoethyl)-4-phenyl-N-propan-2-ylbutanamide
CID 80665156
2-[methyl(3-phenylpropanoyl)amino]propanoic acid
CID 62626349
N-(2-chloroethyl)-N-methyl-4-phenylbutanamide
CID 63391707
N-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide
CID 78844007
2-[4-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid
CID 119208828
5-phenylpentan-2-one
CID 16701
N-(2-methoxyethyl)-N-(2-methylpropyl)-4-phenylbutanamide
CID 78876109
2-[methyl-[2-(3-phenylpropylsulfonyl)acetyl]amino]propanoic acid
CID 119209215

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenyl-N-propan-2-ylbutanamide?
The IUPAC name of N-methyl-4-phenyl-N-propan-2-ylbutanamide (CID 78884220) is N-methyl-4-phenyl-N-propan-2-ylbutanamide.
What is the SMILES notation for N-methyl-4-phenyl-N-propan-2-ylbutanamide?
The canonical SMILES for N-methyl-4-phenyl-N-propan-2-ylbutanamide is CC(C)N(C)C(=O)CCCc1ccccc1.
What is the InChIKey of N-methyl-4-phenyl-N-propan-2-ylbutanamide?
The InChIKey is KPEKLHKEMAAMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12(2)15(3)14(16)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3.
What are the key properties of N-methyl-4-phenyl-N-propan-2-ylbutanamide?
N-methyl-4-phenyl-N-propan-2-ylbutanamide has a molecular weight of 219.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 78884220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).