ethyl 3-[methyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoate

C16H24N2O3 — CID 75510496

IUPACethyl 3-[methyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C16H24N2O3/c1-6-21-14(19)7-8-18(5)16(20)17-15-12(3)9-11(2)10-13(15)4/h9-10H,6-8H2,1-5H3,(H,17,20)
InChIKeyFXBWWMAMBFUMRX-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.03
Rot. Bonds5

About ethyl 3-[methyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoate

ethyl 3-[methyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoate (PubChem CID 75510496) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 3-[methyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[methyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoate
PubChem CID75510496
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl 3-[methyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C16H24N2O3/c1-6-21-14(19)7-8-18(5)16(20)17-15-12(3)9-11(2)10-13(15)4/h9-10H,6-8H2,1-5H3,(H,17,20)
InChIKeyFXBWWMAMBFUMRX-UHFFFAOYSA-N
XLogP3.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoic acid
CID 61183576
ethyl 3-[(2,6-dimethylphenyl)carbamoyl-propan-2-ylamino]propanoate
CID 5040472
1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,4,6-trimethylphenyl)urea
CID 47031870
ethyl 3-[[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamoyl-methylamino]propanoate
CID 75510521
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 119291379
2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
CID 63644567
2-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
CID 61183574
ethyl 2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetate
CID 47406124
2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-ethylbutanoic acid
CID 79804656
2-[(4-methoxyphenyl)carbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 51226266
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-N',N'-dipropylpentanediamide
CID 56540496
methyl 3-(N,2,4,6-tetramethylanilino)propanoate
CID 115232284

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoate?
The IUPAC name of ethyl 3-[methyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoate (CID 75510496) is ethyl 3-[methyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[methyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoate?
The canonical SMILES for ethyl 3-[methyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoate is CCOC(=O)CCN(C)C(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of ethyl 3-[methyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoate?
The InChIKey is FXBWWMAMBFUMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-6-21-14(19)7-8-18(5)16(20)17-15-12(3)9-11(2)10-13(15)4/h9-10H,6-8H2,1-5H3,(H,17,20).
What are the key properties of ethyl 3-[methyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoate?
ethyl 3-[methyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoate has a molecular weight of 292.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[methyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoate is sourced from PubChem (CID 75510496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).