2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide

C15H23N3O2 — CID 47041621

IUPAC2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)NC(C)C
InChIInChI=1S/C15H23N3O2/c1-9(2)14(19)17-12-7-6-11(5)13(8-12)18-15(20)16-10(3)4/h6-10H,1-5H3,(H,17,19)(H2,16,18,20)
InChIKeyYYOGWIHJRWDOPQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.12
Rot. Bonds4

About 2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide

2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide (PubChem CID 47041621) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide
PubChem CID47041621
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)NC(C)C
InChIInChI=1S/C15H23N3O2/c1-9(2)14(19)17-12-7-6-11(5)13(8-12)18-15(20)16-10(3)4/h6-10H,1-5H3,(H,17,19)(H2,16,18,20)
InChIKeyYYOGWIHJRWDOPQ-UHFFFAOYSA-N
XLogP3.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-2-methylphenyl]-2-methylpropanamide
CID 131943184
2-methyl-3-(methylamino)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]propanamide
CID 119725778
N-(3-acetamido-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 55972242
N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 94177222
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide
CID 82034485
2-methyl-N-[4-methyl-3-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]phenyl]propanamide
CID 47063867
2-methyl-N-[4-methyl-3-[[2-(prop-2-enoylamino)acetyl]amino]phenyl]propanamide
CID 166411586
1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea
CID 5199743
methyl 4-methyl-3-(propan-2-ylcarbamoylamino)benzoate
CID 47173546
N-[4-methyl-3-(2-methylpropanoylamino)phenyl]furan-3-carboxamide
CID 131948367
3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide
CID 46485899
N-cyclopentyl-2-[[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylphenyl]carbamoylamino]propanamide
CID 47075790

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide (CID 47041621) is 2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide is Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NC(C)C.
What is the InChIKey of 2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide?
The InChIKey is YYOGWIHJRWDOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-9(2)14(19)17-12-7-6-11(5)13(8-12)18-15(20)16-10(3)4/h6-10H,1-5H3,(H,17,19)(H2,16,18,20).
What are the key properties of 2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide?
2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide has a molecular weight of 277.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 47041621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).