ethyl 1-[4-amino-3-(cyclopropylmethoxy)-5-(4-methylphenyl)phenyl]cyclobutane-1-carboxylate

C24H29NO3 — CID 89212649

IUPACethyl 1-[4-amino-3-(cyclopropylmethoxy)-5-(4-methylphenyl)phenyl]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(c2cc(OCC3CC3)c(N)c(-c3ccc(C)cc3)c2)CCC1
InChIInChI=1S/C24H29NO3/c1-3-27-23(26)24(11-4-12-24)19-13-20(18-9-5-16(2)6-10-18)22(25)21(14-19)28-15-17-7-8-17/h5-6,9-10,13-14,17H,3-4,7-8,11-12,15,25H2,1-2H3
InChIKeyYDKXHHMICCBXMB-UHFFFAOYSA-N
MW379.50 g/mol
LogP5.02
Rot. Bonds7

About ethyl 1-[4-amino-3-(cyclopropylmethoxy)-5-(4-methylphenyl)phenyl]cyclobutane-1-carboxylate

ethyl 1-[4-amino-3-(cyclopropylmethoxy)-5-(4-methylphenyl)phenyl]cyclobutane-1-carboxylate (PubChem CID 89212649) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is ethyl 1-[4-amino-3-(cyclopropylmethoxy)-5-(4-methylphenyl)phenyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-amino-3-(cyclopropylmethoxy)-5-(4-methylphenyl)phenyl]cyclobutane-1-carboxylate
PubChem CID89212649
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Nameethyl 1-[4-amino-3-(cyclopropylmethoxy)-5-(4-methylphenyl)phenyl]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(c2cc(OCC3CC3)c(N)c(-c3ccc(C)cc3)c2)CCC1
InChIInChI=1S/C24H29NO3/c1-3-27-23(26)24(11-4-12-24)19-13-20(18-9-5-16(2)6-10-18)22(25)21(14-19)28-15-17-7-8-17/h5-6,9-10,13-14,17H,3-4,7-8,11-12,15,25H2,1-2H3
InChIKeyYDKXHHMICCBXMB-UHFFFAOYSA-N
XLogP5.02
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 1-[4-amino-3-(cyclopropylmethoxy)-5-(4-methylphenyl)phenyl]cyclobutane-1-carboxylate 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

ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 15029975
ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293
1-[3-(4-chlorophenyl)-4-(cyclopropylmethoxy)phenyl]cyclobutane-1-carboxylic acid
CID 66940685
ethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate
CID 15029983
1-[2-(cyclopropylmethoxy)-5-methylphenyl]cyclopropane-1-carboxylic acid
CID 117367982
ethyl 1-(4-ethoxyphenyl)cyclobutane-1-carboxylate
CID 71404430
ethyl 1-[4-(4-formylphenyl)phenyl]cyclopropane-1-carboxylate
CID 89411934
ethyl 3-amino-1-(3,5-dimethylphenyl)cyclobutane-1-carboxylate
CID 165493227
ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate
CID 142504179
ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate
CID 21027780
trans-ethyl (1R,3R)-3-cyano-3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate
CID 70208932
ethyl 2-amino-3-(cyclopentylmethoxy)benzoate
CID 115547349

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-amino-3-(cyclopropylmethoxy)-5-(4-methylphenyl)phenyl]cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-[4-amino-3-(cyclopropylmethoxy)-5-(4-methylphenyl)phenyl]cyclobutane-1-carboxylate (CID 89212649) is ethyl 1-[4-amino-3-(cyclopropylmethoxy)-5-(4-methylphenyl)phenyl]cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-[4-amino-3-(cyclopropylmethoxy)-5-(4-methylphenyl)phenyl]cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-[4-amino-3-(cyclopropylmethoxy)-5-(4-methylphenyl)phenyl]cyclobutane-1-carboxylate is CCOC(=O)C1(c2cc(OCC3CC3)c(N)c(-c3ccc(C)cc3)c2)CCC1.
What is the InChIKey of ethyl 1-[4-amino-3-(cyclopropylmethoxy)-5-(4-methylphenyl)phenyl]cyclobutane-1-carboxylate?
The InChIKey is YDKXHHMICCBXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-3-27-23(26)24(11-4-12-24)19-13-20(18-9-5-16(2)6-10-18)22(25)21(14-19)28-15-17-7-8-17/h5-6,9-10,13-14,17H,3-4,7-8,11-12,15,25H2,1-2H3.
What are the key properties of ethyl 1-[4-amino-3-(cyclopropylmethoxy)-5-(4-methylphenyl)phenyl]cyclobutane-1-carboxylate?
ethyl 1-[4-amino-3-(cyclopropylmethoxy)-5-(4-methylphenyl)phenyl]cyclobutane-1-carboxylate has a molecular weight of 379.50 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-amino-3-(cyclopropylmethoxy)-5-(4-methylphenyl)phenyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 89212649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).