methyl 3-(5-acetamido-4-amino-2-methoxy-N-methylanilino)propanoate

C14H21N3O4 — CID 155150487

IUPACmethyl 3-(5-acetamido-4-amino-2-methoxy-N-methylanilino)propanoate
SMILESCOC(=O)CCN(C)c1cc(NC(C)=O)c(N)cc1OC
InChIInChI=1S/C14H21N3O4/c1-9(18)16-11-8-12(13(20-3)7-10(11)15)17(2)6-5-14(19)21-4/h7-8H,5-6,15H2,1-4H3,(H,16,18)
InChIKeyIWFKXEIDFJWXGG-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.24
Rot. Bonds6

About methyl 3-(5-acetamido-4-amino-2-methoxy-N-methylanilino)propanoate

methyl 3-(5-acetamido-4-amino-2-methoxy-N-methylanilino)propanoate (PubChem CID 155150487) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 3-(5-acetamido-4-amino-2-methoxy-N-methylanilino)propanoate.

Molecular Properties

Compound Namemethyl 3-(5-acetamido-4-amino-2-methoxy-N-methylanilino)propanoate
PubChem CID155150487
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Namemethyl 3-(5-acetamido-4-amino-2-methoxy-N-methylanilino)propanoate
SMILESCOC(=O)CCN(C)c1cc(NC(C)=O)c(N)cc1OC
InChIInChI=1S/C14H21N3O4/c1-9(18)16-11-8-12(13(20-3)7-10(11)15)17(2)6-5-14(19)21-4/h7-8H,5-6,15H2,1-4H3,(H,16,18)
InChIKeyIWFKXEIDFJWXGG-UHFFFAOYSA-N
XLogP1.24
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze methyl 3-(5-acetamido-4-amino-2-methoxy-N-methylanilino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-amino-5-[bis(3-methoxy-3-oxopropyl)amino]-4-methoxyphenyl]carbamic acid
CID 167055796
N-[2-amino-5-[bis(prop-2-enyl)amino]-4-methoxyphenyl]acetamide
CID 155148680
2-oxobutyl 3-(5-acetamido-4-amino-N-benzyl-2-methoxyanilino)propanoate
CID 155150518
1-[4-amino-2-methoxy-N-(3-oxopentyl)-5-(prop-1-en-2-ylamino)anilino]pentan-3-one
CID 129227301
methyl 3-(2-amino-4,5-dimethoxyanilino)propanoate
CID 83001699
methyl 3-(N,2,4,6-tetramethylanilino)propanoate
CID 115232284
4-(2,5-dimethoxy-N,4-dimethylanilino)butan-2-one
CID 115235537
methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate
CID 43551388
methyl 2-(2-amino-4,5-dimethoxyanilino)acetate
CID 83001432
N-(2-amino-4,5-dimethoxyphenyl)-2-ethylbutanamide
CID 28866736
methyl 3-(N,2,3,4-tetramethylanilino)propanoate
CID 115232358
4-(5-chloro-2-methoxy-N,4-dimethylanilino)butan-2-one
CID 115235517

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-acetamido-4-amino-2-methoxy-N-methylanilino)propanoate?
The IUPAC name of methyl 3-(5-acetamido-4-amino-2-methoxy-N-methylanilino)propanoate (CID 155150487) is methyl 3-(5-acetamido-4-amino-2-methoxy-N-methylanilino)propanoate.
What is the SMILES notation for methyl 3-(5-acetamido-4-amino-2-methoxy-N-methylanilino)propanoate?
The canonical SMILES for methyl 3-(5-acetamido-4-amino-2-methoxy-N-methylanilino)propanoate is COC(=O)CCN(C)c1cc(NC(C)=O)c(N)cc1OC.
What is the InChIKey of methyl 3-(5-acetamido-4-amino-2-methoxy-N-methylanilino)propanoate?
The InChIKey is IWFKXEIDFJWXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-9(18)16-11-8-12(13(20-3)7-10(11)15)17(2)6-5-14(19)21-4/h7-8H,5-6,15H2,1-4H3,(H,16,18).
What are the key properties of methyl 3-(5-acetamido-4-amino-2-methoxy-N-methylanilino)propanoate?
methyl 3-(5-acetamido-4-amino-2-methoxy-N-methylanilino)propanoate has a molecular weight of 295.34 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-acetamido-4-amino-2-methoxy-N-methylanilino)propanoate is sourced from PubChem (CID 155150487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).