3-[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]-N,N-dimethylpropanamide

C16H25N3O2 — CID 87007743

IUPAC3-[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]-N,N-dimethylpropanamide
SMILESCCN(Cc1cccc(C)c1)C(=O)NCCC(=O)N(C)C
InChIInChI=1S/C16H25N3O2/c1-5-19(12-14-8-6-7-13(2)11-14)16(21)17-10-9-15(20)18(3)4/h6-8,11H,5,9-10,12H2,1-4H3,(H,17,21)
InChIKeyQQSYPOJWYBKIIN-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.00
Rot. Bonds6

About 3-[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]-N,N-dimethylpropanamide

3-[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]-N,N-dimethylpropanamide (PubChem CID 87007743) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]-N,N-dimethylpropanamide
PubChem CID87007743
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name3-[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]-N,N-dimethylpropanamide
SMILESCCN(Cc1cccc(C)c1)C(=O)NCCC(=O)N(C)C
InChIInChI=1S/C16H25N3O2/c1-5-19(12-14-8-6-7-13(2)11-14)16(21)17-10-9-15(20)18(3)4/h6-8,11H,5,9-10,12H2,1-4H3,(H,17,21)
InChIKeyQQSYPOJWYBKIIN-UHFFFAOYSA-N
XLogP2.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-3-[2-(3-methylphenyl)ethylamino]propanamide
CID 55062373
N,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide
CID 54934589
N-benzyl-N-ethyl-3-(3-methylanilino)propanamide
CID 109022921
N,N-diethyl-3-(3-methylphenyl)propanamide
CID 60701900
4-[[(3-chlorophenyl)methyl-ethylcarbamoyl]amino]butanoic acid
CID 122021633
1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891107
methyl 5-[[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]methyl]-2-methoxybenzoate
CID 86999434
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112992909
3-[ethyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62851250
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211
N-ethyl-N-[(3-methylphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79285693
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-ethylbutanamide
CID 113054219

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]-N,N-dimethylpropanamide (CID 87007743) is 3-[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]-N,N-dimethylpropanamide is CCN(Cc1cccc(C)c1)C(=O)NCCC(=O)N(C)C.
What is the InChIKey of 3-[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]-N,N-dimethylpropanamide?
The InChIKey is QQSYPOJWYBKIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-19(12-14-8-6-7-13(2)11-14)16(21)17-10-9-15(20)18(3)4/h6-8,11H,5,9-10,12H2,1-4H3,(H,17,21).
What are the key properties of 3-[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]-N,N-dimethylpropanamide?
3-[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]-N,N-dimethylpropanamide has a molecular weight of 291.40 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 87007743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).