methyl 2-acetamido-3-(4-butylanilino)propanoate

C16H24N2O3 — CID 103237589

IUPACmethyl 2-acetamido-3-(4-butylanilino)propanoate
SMILESCCCCc1ccc(NCC(NC(C)=O)C(=O)OC)cc1
InChIInChI=1S/C16H24N2O3/c1-4-5-6-13-7-9-14(10-8-13)17-11-15(16(20)21-3)18-12(2)19/h7-10,15,17H,4-6,11H2,1-3H3,(H,18,19)
InChIKeyGDXNHQJZNHRZQR-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.12
Rot. Bonds8

About methyl 2-acetamido-3-(4-butylanilino)propanoate

methyl 2-acetamido-3-(4-butylanilino)propanoate (PubChem CID 103237589) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 2-acetamido-3-(4-butylanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(4-butylanilino)propanoate
PubChem CID103237589
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 2-acetamido-3-(4-butylanilino)propanoate
SMILESCCCCc1ccc(NCC(NC(C)=O)C(=O)OC)cc1
InChIInChI=1S/C16H24N2O3/c1-4-5-6-13-7-9-14(10-8-13)17-11-15(16(20)21-3)18-12(2)19/h7-10,15,17H,4-6,11H2,1-3H3,(H,18,19)
InChIKeyGDXNHQJZNHRZQR-UHFFFAOYSA-N
XLogP2.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-acetamido-3-(4-butylphenoxy)propanoate
CID 115492132
methyl 2-acetamido-3-(4-propan-2-yloxyanilino)propanoate
CID 103236649
methyl 2-acetamido-3-(3,4-dimethylanilino)propanoate
CID 103234166
methyl 2-acetamido-3-(3,4-dimethoxyanilino)propanoate
CID 103232986
methyl 2-[[2-(4-butylphenyl)acetyl]amino]-3-hydroxypropanoate
CID 43408407
methyl 2-acetamido-3-(2-propylanilino)propanoate
CID 103246193
(2R)-2-acetamido-N-(4-butylphenyl)pentanediamide
CID 95156797
methyl (2R)-2-[(4-butylphenyl)carbamoylamino]propanoate
CID 7660335
methyl 2-acetamido-3-(3,4-dicyanoanilino)propanoate
CID 107791353
methyl (2S)-2-[(4-butylphenyl)carbamoylamino]-3-methylbutanoate
CID 2022302
(2S)-2-acetamido-N-(4-butylphenyl)-4-methylsulfonylbutanamide
CID 7100791
(2S)-3-(4-butylanilino)propane-1,2-diol
CID 61149579

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(4-butylanilino)propanoate?
The IUPAC name of methyl 2-acetamido-3-(4-butylanilino)propanoate (CID 103237589) is methyl 2-acetamido-3-(4-butylanilino)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(4-butylanilino)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(4-butylanilino)propanoate is CCCCc1ccc(NCC(NC(C)=O)C(=O)OC)cc1.
What is the InChIKey of methyl 2-acetamido-3-(4-butylanilino)propanoate?
The InChIKey is GDXNHQJZNHRZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-5-6-13-7-9-14(10-8-13)17-11-15(16(20)21-3)18-12(2)19/h7-10,15,17H,4-6,11H2,1-3H3,(H,18,19).
What are the key properties of methyl 2-acetamido-3-(4-butylanilino)propanoate?
methyl 2-acetamido-3-(4-butylanilino)propanoate has a molecular weight of 292.38 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(4-butylanilino)propanoate is sourced from PubChem (CID 103237589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).