N-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide

C15H23N3O2 — CID 46614554

IUPACN-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
SMILESCCNC(=O)NC(=O)C(C)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C15H23N3O2/c1-5-16-15(20)17-14(19)12(3)18(4)10-13-8-6-11(2)7-9-13/h6-9,12H,5,10H2,1-4H3,(H2,16,17,19,20)
InChIKeyKDMDIELEKMSULI-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.66
Rot. Bonds5

About N-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide

N-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide (PubChem CID 46614554) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
PubChem CID46614554
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
SMILESCCNC(=O)NC(=O)C(C)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C15H23N3O2/c1-5-16-15(20)17-14(19)12(3)18(4)10-13-8-6-11(2)7-9-13/h6-9,12H,5,10H2,1-4H3,(H2,16,17,19,20)
InChIKeyKDMDIELEKMSULI-UHFFFAOYSA-N
XLogP1.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 9024362
N-(ethylcarbamoyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 46614571
(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 26582952
(2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 8907646
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)propanamide
CID 18142135
2-[(4-aminophenyl)methyl-methylamino]-N-ethylpropanamide
CID 43458316
2-[methyl-[(4-methylphenyl)methyl]amino]pentan-3-one
CID 64866924
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(ethylcarbamoyl)propanamide
CID 18087462
(2R)-2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 9251723
(2R)-N-(4-acetylphenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517311
(2S)-N-(ethylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
CID 8595597
N-(ethylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
CID 51167500

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide (CID 46614554) is N-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide is CCNC(=O)NC(=O)C(C)N(C)Cc1ccc(C)cc1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide?
The InChIKey is KDMDIELEKMSULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-16-15(20)17-14(19)12(3)18(4)10-13-8-6-11(2)7-9-13/h6-9,12H,5,10H2,1-4H3,(H2,16,17,19,20).
What are the key properties of N-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide?
N-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 46614554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).