2-[[ethyl-(3-methylphenyl)carbamoyl]amino]-3-methylpentanoic acid

C16H24N2O3 — CID 61208845

IUPAC2-[[ethyl-(3-methylphenyl)carbamoyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)N(CC)c1cccc(C)c1)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-5-12(4)14(15(19)20)17-16(21)18(6-2)13-9-7-8-11(3)10-13/h7-10,12,14H,5-6H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyNTUTZHXTNRPMDP-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.03
Rot. Bonds6

About 2-[[ethyl-(3-methylphenyl)carbamoyl]amino]-3-methylpentanoic acid

2-[[ethyl-(3-methylphenyl)carbamoyl]amino]-3-methylpentanoic acid (PubChem CID 61208845) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[[ethyl-(3-methylphenyl)carbamoyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[[ethyl-(3-methylphenyl)carbamoyl]amino]-3-methylpentanoic acid
PubChem CID61208845
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[[ethyl-(3-methylphenyl)carbamoyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)N(CC)c1cccc(C)c1)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-5-12(4)14(15(19)20)17-16(21)18(6-2)13-9-7-8-11(3)10-13/h7-10,12,14H,5-6H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyNTUTZHXTNRPMDP-UHFFFAOYSA-N
XLogP3.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S,3R)-2-[[ethyl(phenyl)carbamoyl]amino]-3-methylpentanoate
CID 41118317
1-ethyl-1-(3-methylphenyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880749
(2S)-2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-3-methylpentanoic acid
CID 107737182
4-(N-ethyl-3-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497969
(2S,3S)-3-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoic acid
CID 55067991
(2S,3S)-3-methyl-2-[(3-methylphenyl)carbamoylamino]pentanoic acid
CID 28509192
5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid
CID 82014581
2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide
CID 61103967
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108957363
1-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145572
2-bromo-N-ethyl-N-(3-methylphenyl)butanamide
CID 25219729
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-(3-methylphenyl)carbamoyl]amino]-3-methylpentanoic acid?
The IUPAC name of 2-[[ethyl-(3-methylphenyl)carbamoyl]amino]-3-methylpentanoic acid (CID 61208845) is 2-[[ethyl-(3-methylphenyl)carbamoyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[[ethyl-(3-methylphenyl)carbamoyl]amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[[ethyl-(3-methylphenyl)carbamoyl]amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)N(CC)c1cccc(C)c1)C(=O)O.
What is the InChIKey of 2-[[ethyl-(3-methylphenyl)carbamoyl]amino]-3-methylpentanoic acid?
The InChIKey is NTUTZHXTNRPMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-12(4)14(15(19)20)17-16(21)18(6-2)13-9-7-8-11(3)10-13/h7-10,12,14H,5-6H2,1-4H3,(H,17,21)(H,19,20).
What are the key properties of 2-[[ethyl-(3-methylphenyl)carbamoyl]amino]-3-methylpentanoic acid?
2-[[ethyl-(3-methylphenyl)carbamoyl]amino]-3-methylpentanoic acid has a molecular weight of 292.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-(3-methylphenyl)carbamoyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 61208845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).