propyl 4-[(2,2-dimethylcyclopentyl)amino]benzoate

C17H25NO2 — CID 79863937

IUPACpropyl 4-[(2,2-dimethylcyclopentyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC2CCCC2(C)C)cc1
InChIInChI=1S/C17H25NO2/c1-4-12-20-16(19)13-7-9-14(10-8-13)18-15-6-5-11-17(15,2)3/h7-10,15,18H,4-6,11-12H2,1-3H3
InChIKeyAPWKXBMHEPPTJP-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.24
Rot. Bonds5

About propyl 4-[(2,2-dimethylcyclopentyl)amino]benzoate

propyl 4-[(2,2-dimethylcyclopentyl)amino]benzoate (PubChem CID 79863937) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is propyl 4-[(2,2-dimethylcyclopentyl)amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(2,2-dimethylcyclopentyl)amino]benzoate
PubChem CID79863937
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Namepropyl 4-[(2,2-dimethylcyclopentyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC2CCCC2(C)C)cc1
InChIInChI=1S/C17H25NO2/c1-4-12-20-16(19)13-7-9-14(10-8-13)18-15-6-5-11-17(15,2)3/h7-10,15,18H,4-6,11-12H2,1-3H3
InChIKeyAPWKXBMHEPPTJP-UHFFFAOYSA-N
XLogP4.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]propanamide
CID 79860812
propyl 4-(piperidin-4-ylamino)benzoate
CID 54902867
ethyl 4-[(4,4-dimethylthian-3-yl)amino]benzoate
CID 79951721
4-[(2,2-dimethylcyclopentyl)amino]-N-prop-2-enylbenzamide
CID 79860273
propyl 4-[(2,4-dimethylcyclohexyl)amino]benzoate
CID 64761592
propyl 4-(dicyclopropylmethylamino)benzoate
CID 43362907
ethyl 3-amino-4-[(2,2-dimethylcyclohexyl)amino]benzoate
CID 79870537
propyl 4-(cyclopropylsulfamoylamino)benzoate
CID 104516933
cis-(1S,2R)-2-[(4-propoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 23013499
3-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzamide
CID 79864777
N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]methanesulfonamide
CID 79860490
N-(2,2-dimethylcyclopentyl)-4-nitroaniline
CID 79859591

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(2,2-dimethylcyclopentyl)amino]benzoate?
The IUPAC name of propyl 4-[(2,2-dimethylcyclopentyl)amino]benzoate (CID 79863937) is propyl 4-[(2,2-dimethylcyclopentyl)amino]benzoate.
What is the SMILES notation for propyl 4-[(2,2-dimethylcyclopentyl)amino]benzoate?
The canonical SMILES for propyl 4-[(2,2-dimethylcyclopentyl)amino]benzoate is CCCOC(=O)c1ccc(NC2CCCC2(C)C)cc1.
What is the InChIKey of propyl 4-[(2,2-dimethylcyclopentyl)amino]benzoate?
The InChIKey is APWKXBMHEPPTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-12-20-16(19)13-7-9-14(10-8-13)18-15-6-5-11-17(15,2)3/h7-10,15,18H,4-6,11-12H2,1-3H3.
What are the key properties of propyl 4-[(2,2-dimethylcyclopentyl)amino]benzoate?
propyl 4-[(2,2-dimethylcyclopentyl)amino]benzoate has a molecular weight of 275.39 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(2,2-dimethylcyclopentyl)amino]benzoate is sourced from PubChem (CID 79863937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).