3-methyl-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentanamide

C19H30N2O2 — CID 175979048

IUPAC3-methyl-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentanamide
SMILESCCC(C)C(NC(=O)C(C)c1ccc(CC(C)C)cc1)C(N)=O
InChIInChI=1S/C19H30N2O2/c1-6-13(4)17(18(20)22)21-19(23)14(5)16-9-7-15(8-10-16)11-12(2)3/h7-10,12-14,17H,6,11H2,1-5H3,(H2,20,22)(H,21,23)
InChIKeyKENXOFARFIGHKX-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.00
Rot. Bonds8

About 3-methyl-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentanamide

3-methyl-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentanamide (PubChem CID 175979048) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-methyl-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentanamide.

Molecular Properties

Compound Name3-methyl-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentanamide
PubChem CID175979048
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name3-methyl-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentanamide
SMILESCCC(C)C(NC(=O)C(C)c1ccc(CC(C)C)cc1)C(N)=O
InChIInChI=1S/C19H30N2O2/c1-6-13(4)17(18(20)22)21-19(23)14(5)16-9-7-15(8-10-16)11-12(2)3/h7-10,12-14,17H,6,11H2,1-5H3,(H2,20,22)(H,21,23)
InChIKeyKENXOFARFIGHKX-UHFFFAOYSA-N
XLogP3.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11841279
(4-acetamidophenyl) (2S,3S)-3-methyl-2-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]pentanoate
CID 102365706
N-(1-aminobutyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 89455397
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
(2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11817897
ethyl (2S,3R)-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-3-piperidin-1-ylpentanoate
CID 69236513
[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxymethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 118682684
methyl (2S)-2-[[(2R)-4-amino-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-4-oxobutanoyl]amino]propanoate
CID 146388769
(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide
CID 1207292
(2S)-3-methoxy-2-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoic acid
CID 68530815
methyl (2R)-3-(dimethylamino)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoate
CID 69236269
(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
CID 166540473

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentanamide?
The IUPAC name of 3-methyl-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentanamide (CID 175979048) is 3-methyl-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentanamide.
What is the SMILES notation for 3-methyl-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentanamide?
The canonical SMILES for 3-methyl-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentanamide is CCC(C)C(NC(=O)C(C)c1ccc(CC(C)C)cc1)C(N)=O.
What is the InChIKey of 3-methyl-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentanamide?
The InChIKey is KENXOFARFIGHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-6-13(4)17(18(20)22)21-19(23)14(5)16-9-7-15(8-10-16)11-12(2)3/h7-10,12-14,17H,6,11H2,1-5H3,(H2,20,22)(H,21,23).
What are the key properties of 3-methyl-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentanamide?
3-methyl-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentanamide has a molecular weight of 318.46 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentanamide is sourced from PubChem (CID 175979048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).