3-(N-[2-(1-hydroxycyclohexyl)acetyl]anilino)propanamide

C17H24N2O3 — CID 111537760

IUPAC3-(N-[2-(1-hydroxycyclohexyl)acetyl]anilino)propanamide
SMILESNC(=O)CCN(C(=O)CC1(O)CCCCC1)c1ccccc1
InChIInChI=1S/C17H24N2O3/c18-15(20)9-12-19(14-7-3-1-4-8-14)16(21)13-17(22)10-5-2-6-11-17/h1,3-4,7-8,22H,2,5-6,9-13H2,(H2,18,20)
InChIKeyLRAOSHOFEDPNIO-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.98
Rot. Bonds6

About 3-(N-[2-(1-hydroxycyclohexyl)acetyl]anilino)propanamide

3-(N-[2-(1-hydroxycyclohexyl)acetyl]anilino)propanamide (PubChem CID 111537760) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-(N-[2-(1-hydroxycyclohexyl)acetyl]anilino)propanamide.

Molecular Properties

Compound Name3-(N-[2-(1-hydroxycyclohexyl)acetyl]anilino)propanamide
PubChem CID111537760
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-(N-[2-(1-hydroxycyclohexyl)acetyl]anilino)propanamide
SMILESNC(=O)CCN(C(=O)CC1(O)CCCCC1)c1ccccc1
InChIInChI=1S/C17H24N2O3/c18-15(20)9-12-19(14-7-3-1-4-8-14)16(21)13-17(22)10-5-2-6-11-17/h1,3-4,7-8,22H,2,5-6,9-13H2,(H2,18,20)
InChIKeyLRAOSHOFEDPNIO-UHFFFAOYSA-N
XLogP1.98
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(N-[2-(1-hydroxycyclohexyl)acetyl]anilino)propanamide 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-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide
CID 119275160
4-amino-N-(3-amino-3-oxopropyl)-N-phenylbutanamide;hydrochloride
CID 119275169
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate
CID 24670008
7-amino-N-(3-amino-3-oxopropyl)-N-phenylheptanamide
CID 119696693
3-(N-[2-(2-chlorophenyl)sulfanylacetyl]anilino)propanamide
CID 27312033
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-benzoylbenzoate
CID 24526690
3-(N-[2-(2,6-dichlorophenoxy)acetyl]anilino)propanamide
CID 51263825
cis-(1R,2S)-N-(3-amino-3-oxopropyl)-N,2-diphenylcyclopropane-1-carboxamide
CID 95568350
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 37325499
phenyl 2-(1-hydroxycyclohexyl)acetate
CID 57448980
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 55449115
N-(3-amino-3-sulfanylidenepropyl)-N-phenylcyclobutanecarboxamide
CID 24695589

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-(1-hydroxycyclohexyl)acetyl]anilino)propanamide?
The IUPAC name of 3-(N-[2-(1-hydroxycyclohexyl)acetyl]anilino)propanamide (CID 111537760) is 3-(N-[2-(1-hydroxycyclohexyl)acetyl]anilino)propanamide.
What is the SMILES notation for 3-(N-[2-(1-hydroxycyclohexyl)acetyl]anilino)propanamide?
The canonical SMILES for 3-(N-[2-(1-hydroxycyclohexyl)acetyl]anilino)propanamide is NC(=O)CCN(C(=O)CC1(O)CCCCC1)c1ccccc1.
What is the InChIKey of 3-(N-[2-(1-hydroxycyclohexyl)acetyl]anilino)propanamide?
The InChIKey is LRAOSHOFEDPNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c18-15(20)9-12-19(14-7-3-1-4-8-14)16(21)13-17(22)10-5-2-6-11-17/h1,3-4,7-8,22H,2,5-6,9-13H2,(H2,18,20).
What are the key properties of 3-(N-[2-(1-hydroxycyclohexyl)acetyl]anilino)propanamide?
3-(N-[2-(1-hydroxycyclohexyl)acetyl]anilino)propanamide has a molecular weight of 304.39 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-(1-hydroxycyclohexyl)acetyl]anilino)propanamide is sourced from PubChem (CID 111537760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).