N,N-diethyl-3-(3-methylphenyl)propanamide

C14H21NO — CID 60701900

IUPACN,N-diethyl-3-(3-methylphenyl)propanamide
SMILESCCN(CC)C(=O)CCc1cccc(C)c1
InChIInChI=1S/C14H21NO/c1-4-15(5-2)14(16)10-9-13-8-6-7-12(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyOJYWTYNOVZBAJU-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.80
Rot. Bonds5

About N,N-diethyl-3-(3-methylphenyl)propanamide

N,N-diethyl-3-(3-methylphenyl)propanamide (PubChem CID 60701900) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N,N-diethyl-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(3-methylphenyl)propanamide
PubChem CID60701900
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN,N-diethyl-3-(3-methylphenyl)propanamide
SMILESCCN(CC)C(=O)CCc1cccc(C)c1
InChIInChI=1S/C14H21NO/c1-4-15(5-2)14(16)10-9-13-8-6-7-12(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyOJYWTYNOVZBAJU-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide
CID 86913071
N-(2-aminoethyl)-3-(3-methylphenyl)-N-propylpropanamide
CID 62367401
N,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide
CID 54934589
ethyl 2-[3-(3-methylphenyl)propanoyl-propylamino]acetate
CID 61073689
N-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide
CID 78844007
N-ethyl-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
CID 62365720
3-[3-(3-methylphenyl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190391
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-(3-methylphenyl)propanamide
CID 107490945
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,N-diethyl-3-(3-methylphenyl)propanamide?
The IUPAC name of N,N-diethyl-3-(3-methylphenyl)propanamide (CID 60701900) is N,N-diethyl-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N,N-diethyl-3-(3-methylphenyl)propanamide?
The canonical SMILES for N,N-diethyl-3-(3-methylphenyl)propanamide is CCN(CC)C(=O)CCc1cccc(C)c1.
What is the InChIKey of N,N-diethyl-3-(3-methylphenyl)propanamide?
The InChIKey is OJYWTYNOVZBAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-15(5-2)14(16)10-9-13-8-6-7-12(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3.
What are the key properties of N,N-diethyl-3-(3-methylphenyl)propanamide?
N,N-diethyl-3-(3-methylphenyl)propanamide has a molecular weight of 219.33 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 60701900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).