4-[3-[(4-aminocyclohexyl)amino]-3-oxopropoxy]benzamide

C16H23N3O3 — CID 119476133

IUPAC4-[3-[(4-aminocyclohexyl)amino]-3-oxopropoxy]benzamide
SMILESNC(=O)c1ccc(OCCC(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C16H23N3O3/c17-12-3-5-13(6-4-12)19-15(20)9-10-22-14-7-1-11(2-8-14)16(18)21/h1-2,7-8,12-13H,3-6,9-10,17H2,(H2,18,21)(H,19,20)
InChIKeyPQZHRUNBWCVHAV-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.94
Rot. Bonds6

About 4-[3-[(4-aminocyclohexyl)amino]-3-oxopropoxy]benzamide

4-[3-[(4-aminocyclohexyl)amino]-3-oxopropoxy]benzamide (PubChem CID 119476133) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[3-[(4-aminocyclohexyl)amino]-3-oxopropoxy]benzamide.

Molecular Properties

Compound Name4-[3-[(4-aminocyclohexyl)amino]-3-oxopropoxy]benzamide
PubChem CID119476133
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name4-[3-[(4-aminocyclohexyl)amino]-3-oxopropoxy]benzamide
SMILESNC(=O)c1ccc(OCCC(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C16H23N3O3/c17-12-3-5-13(6-4-12)19-15(20)9-10-22-14-7-1-11(2-8-14)16(18)21/h1-2,7-8,12-13H,3-6,9-10,17H2,(H2,18,21)(H,19,20)
InChIKeyPQZHRUNBWCVHAV-UHFFFAOYSA-N
XLogP0.94
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-tert-butylphenoxy)-N-cyclopropylpropanamide
CID 60631425
N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide
CID 119475959
N-(4-aminocyclohexyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride
CID 119474575
3-(4-chlorophenoxy)-N-cyclopentylpropanamide
CID 108790008
N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride
CID 119475958
N-cyclopropyl-3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 55190758
4-[3-[2-(cycloheptylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride
CID 119620022
4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119478160
N-cyclohexyl-3-(4-methoxyphenoxy)propanamide
CID 974927
N-(3-aminocyclobutyl)-3-phenoxypropanamide
CID 43595119
N-(4-aminocyclohexyl)-3-(2-phenylphenoxy)propanamide;hydrochloride
CID 119477516
3-[3-oxo-3-(piperidin-4-ylamino)propoxy]benzamide;hydrochloride
CID 119390379

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-aminocyclohexyl)amino]-3-oxopropoxy]benzamide?
The IUPAC name of 4-[3-[(4-aminocyclohexyl)amino]-3-oxopropoxy]benzamide (CID 119476133) is 4-[3-[(4-aminocyclohexyl)amino]-3-oxopropoxy]benzamide.
What is the SMILES notation for 4-[3-[(4-aminocyclohexyl)amino]-3-oxopropoxy]benzamide?
The canonical SMILES for 4-[3-[(4-aminocyclohexyl)amino]-3-oxopropoxy]benzamide is NC(=O)c1ccc(OCCC(=O)NC2CCC(N)CC2)cc1.
What is the InChIKey of 4-[3-[(4-aminocyclohexyl)amino]-3-oxopropoxy]benzamide?
The InChIKey is PQZHRUNBWCVHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c17-12-3-5-13(6-4-12)19-15(20)9-10-22-14-7-1-11(2-8-14)16(18)21/h1-2,7-8,12-13H,3-6,9-10,17H2,(H2,18,21)(H,19,20).
What are the key properties of 4-[3-[(4-aminocyclohexyl)amino]-3-oxopropoxy]benzamide?
4-[3-[(4-aminocyclohexyl)amino]-3-oxopropoxy]benzamide has a molecular weight of 305.38 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-aminocyclohexyl)amino]-3-oxopropoxy]benzamide is sourced from PubChem (CID 119476133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).