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

C16H25N3O2 — CID 47039759

IUPACN-[2-methyl-4-(3-methylbutan-2-ylcarbamoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)NC(C)C(C)C)cc1C
InChIInChI=1S/C16H25N3O2/c1-6-15(20)19-14-8-7-13(9-11(14)4)18-16(21)17-12(5)10(2)3/h7-10,12H,6H2,1-5H3,(H,19,20)(H2,17,18,21)
InChIKeyVSJFRTGMHCEXOO-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.51
Rot. Bonds5

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

N-[2-methyl-4-(3-methylbutan-2-ylcarbamoylamino)phenyl]propanamide (PubChem CID 47039759) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[2-methyl-4-(3-methylbutan-2-ylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-methyl-4-(3-methylbutan-2-ylcarbamoylamino)phenyl]propanamide
PubChem CID47039759
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[2-methyl-4-(3-methylbutan-2-ylcarbamoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)NC(C)C(C)C)cc1C
InChIInChI=1S/C16H25N3O2/c1-6-15(20)19-14-8-7-13(9-11(14)4)18-16(21)17-12(5)10(2)3/h7-10,12H,6H2,1-5H3,(H,19,20)(H2,17,18,21)
InChIKeyVSJFRTGMHCEXOO-UHFFFAOYSA-N
XLogP3.51
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 94177222
N-[3-methyl-4-(1,2,2-tricyanoethenylamino)phenyl]propanamide
CID 168607107
N-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide
CID 39193527
N-(4-amino-2-methylphenyl)propanamide
CID 839309
N-[2-methyl-4-(propanoylamino)phenyl]-4-phenoxybutanamide
CID 131947688
N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]cyclopropanecarboxamide
CID 94692031
N-[3-methyl-4-[2-methyl-4-(propanoylamino)phenyl]phenyl]propanamide
CID 4316551
N-[4-(2-chloropropanoyl)-2-methylphenyl]propanamide
CID 82044753
1-(4-chloro-2-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111452596
1-(3,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890307
2-bromo-5-(3-methylbutan-2-ylcarbamoylamino)benzoic acid
CID 113281201
2-chloro-4-(3-methylbutan-2-ylcarbamoylamino)benzoic acid
CID 61398725

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(3-methylbutan-2-ylcarbamoylamino)phenyl]propanamide?
The IUPAC name of N-[2-methyl-4-(3-methylbutan-2-ylcarbamoylamino)phenyl]propanamide (CID 47039759) is N-[2-methyl-4-(3-methylbutan-2-ylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for N-[2-methyl-4-(3-methylbutan-2-ylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for N-[2-methyl-4-(3-methylbutan-2-ylcarbamoylamino)phenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)NC(C)C(C)C)cc1C.
What is the InChIKey of N-[2-methyl-4-(3-methylbutan-2-ylcarbamoylamino)phenyl]propanamide?
The InChIKey is VSJFRTGMHCEXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-6-15(20)19-14-8-7-13(9-11(14)4)18-16(21)17-12(5)10(2)3/h7-10,12H,6H2,1-5H3,(H,19,20)(H2,17,18,21).
What are the key properties of N-[2-methyl-4-(3-methylbutan-2-ylcarbamoylamino)phenyl]propanamide?
N-[2-methyl-4-(3-methylbutan-2-ylcarbamoylamino)phenyl]propanamide has a molecular weight of 291.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(3-methylbutan-2-ylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 47039759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).