1-acetamido-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide

C18H28N2O4 — CID 96570426

IUPAC1-acetamido-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide
SMILESCC(=O)NC1(C(=O)NC[C@](C)(O)c2cc(C)oc2C)CCCCC1
InChIInChI=1S/C18H28N2O4/c1-12-10-15(13(2)24-12)17(4,23)11-19-16(22)18(20-14(3)21)8-6-5-7-9-18/h10,23H,5-9,11H2,1-4H3,(H,19,22)(H,20,21)/t17-/m0/s1
InChIKeySJVOPZVKIRNCRA-KRWDZBQOSA-N
MW336.43 g/mol
LogP2.06
Rot. Bonds5

About 1-acetamido-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide

1-acetamido-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide (PubChem CID 96570426) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 1-acetamido-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-acetamido-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide
PubChem CID96570426
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name1-acetamido-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide
SMILESCC(=O)NC1(C(=O)NC[C@](C)(O)c2cc(C)oc2C)CCCCC1
InChIInChI=1S/C18H28N2O4/c1-12-10-15(13(2)24-12)17(4,23)11-19-16(22)18(20-14(3)21)8-6-5-7-9-18/h10,23H,5-9,11H2,1-4H3,(H,19,22)(H,20,21)/t17-/m0/s1
InChIKeySJVOPZVKIRNCRA-KRWDZBQOSA-N
XLogP2.06
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-acetamido-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide 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

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylcyclopentane-1-carboxamide
CID 71985031
1-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 111478882
1-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 111520032
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(4-methylphenyl)methyl]urea
CID 111478668
5-chloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111478926
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(1-hydroxycyclohexyl)methyl]-2-methylguanidine;hydroiodide
CID 119152398
(E)-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 96567156
N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-piperidin-1-ylbutanamide
CID 96570436
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-methylcyclohexane-1-carboxamide
CID 111479183
N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-ethoxyacetamide
CID 96567145
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-hydroxybenzamide
CID 110025605

Frequently Asked Questions

What is the IUPAC name of 1-acetamido-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-acetamido-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide (CID 96570426) is 1-acetamido-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-acetamido-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-acetamido-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide is CC(=O)NC1(C(=O)NC[C@](C)(O)c2cc(C)oc2C)CCCCC1.
What is the InChIKey of 1-acetamido-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide?
The InChIKey is SJVOPZVKIRNCRA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-12-10-15(13(2)24-12)17(4,23)11-19-16(22)18(20-14(3)21)8-6-5-7-9-18/h10,23H,5-9,11H2,1-4H3,(H,19,22)(H,20,21)/t17-/m0/s1.
What are the key properties of 1-acetamido-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide?
1-acetamido-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 96570426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).