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

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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).