methyl 4-(1-cyclopropylpropylamino)benzoate

C14H19NO2 — CID 64917542

IUPACmethyl 4-(1-cyclopropylpropylamino)benzoate
SMILESCCC(Nc1ccc(C(=O)OC)cc1)C1CC1
InChIInChI=1S/C14H19NO2/c1-3-13(10-4-5-10)15-12-8-6-11(7-9-12)14(16)17-2/h6-10,13,15H,3-5H2,1-2H3
InChIKeyBQICBDNVASIDDA-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.07
Rot. Bonds5

About methyl 4-(1-cyclopropylpropylamino)benzoate

methyl 4-(1-cyclopropylpropylamino)benzoate (PubChem CID 64917542) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 4-(1-cyclopropylpropylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(1-cyclopropylpropylamino)benzoate
PubChem CID64917542
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 4-(1-cyclopropylpropylamino)benzoate
SMILESCCC(Nc1ccc(C(=O)OC)cc1)C1CC1
InChIInChI=1S/C14H19NO2/c1-3-13(10-4-5-10)15-12-8-6-11(7-9-12)14(16)17-2/h6-10,13,15H,3-5H2,1-2H3
InChIKeyBQICBDNVASIDDA-UHFFFAOYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-(1-cyclopropylpropylamino)benzoate 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

4-(1-cyclopropylpropylamino)-N,N-dimethylbenzamide
CID 64919471
N-[4-(1-cyclopropylpropylamino)phenyl]-2-methoxyacetamide
CID 64920329
4-(1-cyclopropylpropylamino)-N-prop-2-enylbenzamide
CID 64919057
N-(1-cyclopropylpropyl)aniline;hydrochloride
CID 174269039
methyl 4-[cyclopropyl(1-cyclopropylpropyl)amino]benzoate
CID 156776202
N-(1-cyclopropylpropyl)-3,4-dimethoxyaniline
CID 64919002
propyl 4-(dicyclopropylmethylamino)benzoate
CID 43362907
methyl 4-[[(2S)-2-methylbutanoyl]amino]benzoate
CID 838061
2-[4-(1-cyclopropylpropylamino)phenyl]acetonitrile
CID 64919481
5-(1-cyclopropylpropylamino)-2-fluorobenzamide
CID 64917346
propan-2-yl 4-(butan-2-ylamino)benzoate
CID 43684062
methyl 4-(dicyclopropylmethylsulfamoyl)benzoate
CID 31847332

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-cyclopropylpropylamino)benzoate?
The IUPAC name of methyl 4-(1-cyclopropylpropylamino)benzoate (CID 64917542) is methyl 4-(1-cyclopropylpropylamino)benzoate.
What is the SMILES notation for methyl 4-(1-cyclopropylpropylamino)benzoate?
The canonical SMILES for methyl 4-(1-cyclopropylpropylamino)benzoate is CCC(Nc1ccc(C(=O)OC)cc1)C1CC1.
What is the InChIKey of methyl 4-(1-cyclopropylpropylamino)benzoate?
The InChIKey is BQICBDNVASIDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-13(10-4-5-10)15-12-8-6-11(7-9-12)14(16)17-2/h6-10,13,15H,3-5H2,1-2H3.
What are the key properties of methyl 4-(1-cyclopropylpropylamino)benzoate?
methyl 4-(1-cyclopropylpropylamino)benzoate has a molecular weight of 233.31 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-cyclopropylpropylamino)benzoate is sourced from PubChem (CID 64917542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).