N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide

C18H28N2O3 — CID 119477535

IUPACN-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NC2CCC(N)CC2)cc1OCC
InChIInChI=1S/C18H28N2O3/c1-3-11-23-16-10-5-13(12-17(16)22-4-2)18(21)20-15-8-6-14(19)7-9-15/h5,10,12,14-15H,3-4,6-9,11,19H2,1-2H3,(H,20,21)
InChIKeyIMQCTGCUQOZSGP-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.87
Rot. Bonds7

About N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide

N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide (PubChem CID 119477535) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide
PubChem CID119477535
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NC2CCC(N)CC2)cc1OCC
InChIInChI=1S/C18H28N2O3/c1-3-11-23-16-10-5-13(12-17(16)22-4-2)18(21)20-15-8-6-14(19)7-9-15/h5,10,12,14-15H,3-4,6-9,11,19H2,1-2H3,(H,20,21)
InChIKeyIMQCTGCUQOZSGP-UHFFFAOYSA-N
XLogP2.87
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide 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

3-ethoxy-N-piperidin-4-yl-4-propoxybenzamide;hydrochloride
CID 119388905
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452708
N-(4-aminocyclohexyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
CID 119475557
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-N-methyl-4-propoxybenzamide
CID 38398843
N-[2-(aminomethyl)cyclopentyl]-3-ethoxy-4-propoxybenzamide
CID 119603710
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide
CID 119458823
cis-(1S,3R)-3-[(3,4-diethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120674848
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide
CID 119384376
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dipropoxybenzamide
CID 34282702

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide (CID 119477535) is N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide is CCCOc1ccc(C(=O)NC2CCC(N)CC2)cc1OCC.
What is the InChIKey of N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide?
The InChIKey is IMQCTGCUQOZSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-11-23-16-10-5-13(12-17(16)22-4-2)18(21)20-15-8-6-14(19)7-9-15/h5,10,12,14-15H,3-4,6-9,11,19H2,1-2H3,(H,20,21).
What are the key properties of N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide?
N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide has a molecular weight of 320.43 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide is sourced from PubChem (CID 119477535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).