N-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide

C14H21NO — CID 78844007

IUPACN-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide
SMILESCc1cccc(CCC(=O)N(C)C(C)C)c1
InChIInChI=1S/C14H21NO/c1-11(2)15(4)14(16)9-8-13-7-5-6-12(3)10-13/h5-7,10-11H,8-9H2,1-4H3
InChIKeySTLGRCIFHZHKQS-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.79
Rot. Bonds4

About N-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide

N-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide (PubChem CID 78844007) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide
PubChem CID78844007
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide
SMILESCc1cccc(CCC(=O)N(C)C(C)C)c1
InChIInChI=1S/C14H21NO/c1-11(2)15(4)14(16)9-8-13-7-5-6-12(3)10-13/h5-7,10-11H,8-9H2,1-4H3
InChIKeySTLGRCIFHZHKQS-UHFFFAOYSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diethyl-3-(3-methylphenyl)propanamide
CID 60701900
N-(2-cyanoethyl)-3-(3-methylphenyl)-N-propan-2-ylpropanamide
CID 62367088
3-[3-(3-methylphenyl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190391
N,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide
CID 86913071
3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 61411542
2-methyl-4-(3-methylphenyl)butanoic acid
CID 79002257
N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 78884220
2-methyl-3-[methyl-[2-(3-methylphenyl)ethyl]amino]-3-oxopropanoic acid
CID 115164386
N-(2-hydroxyethyl)-3-(3-methylphenyl)-N-pentan-3-ylpropanamide
CID 62367281
4-(3-methylphenyl)-2-oxobutanoic acid
CID 82185755
N-(3-amino-3-sulfanylidenepropyl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
CID 62367429
5-methyl-1-(3-methylphenyl)heptan-3-one
CID 105091725

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide?
The IUPAC name of N-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide (CID 78844007) is N-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for N-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide?
The canonical SMILES for N-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide is Cc1cccc(CCC(=O)N(C)C(C)C)c1.
What is the InChIKey of N-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide?
The InChIKey is STLGRCIFHZHKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)15(4)14(16)9-8-13-7-5-6-12(3)10-13/h5-7,10-11H,8-9H2,1-4H3.
What are the key properties of N-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide?
N-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide has a molecular weight of 219.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 78844007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).