N-[(1R,2R)-2-(furan-2-ylmethyl)cyclohexyl]-3-phenylpropanamide

C20H25NO2 — CID 40505929

IUPACN-[(1R,2R)-2-(furan-2-ylmethyl)cyclohexyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N[C@@H]1CCCC[C@@H]1Cc1ccco1
InChIInChI=1S/C20H25NO2/c22-20(13-12-16-7-2-1-3-8-16)21-19-11-5-4-9-17(19)15-18-10-6-14-23-18/h1-3,6-8,10,14,17,19H,4-5,9,11-13,15H2,(H,21,22)/t17-,19-/m1/s1
InChIKeyVOQVDQFARQUJTM-IEBWSBKVSA-N
MW311.42 g/mol
LogP4.13
Rot. Bonds6

About N-[(1R,2R)-2-(furan-2-ylmethyl)cyclohexyl]-3-phenylpropanamide

N-[(1R,2R)-2-(furan-2-ylmethyl)cyclohexyl]-3-phenylpropanamide (PubChem CID 40505929) has the molecular formula C20H25NO2 and a molecular weight of 311.42 g/mol. Its IUPAC name is N-[(1R,2R)-2-(furan-2-ylmethyl)cyclohexyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(furan-2-ylmethyl)cyclohexyl]-3-phenylpropanamide
PubChem CID40505929
Molecular FormulaC20H25NO2
Molecular Weight311.42 g/mol
Exact Mass311.19
IUPAC NameN-[(1R,2R)-2-(furan-2-ylmethyl)cyclohexyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N[C@@H]1CCCC[C@@H]1Cc1ccco1
InChIInChI=1S/C20H25NO2/c22-20(13-12-16-7-2-1-3-8-16)21-19-11-5-4-9-17(19)15-18-10-6-14-23-18/h1-3,6-8,10,14,17,19H,4-5,9,11-13,15H2,(H,21,22)/t17-,19-/m1/s1
InChIKeyVOQVDQFARQUJTM-IEBWSBKVSA-N
XLogP4.13
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]-3-(furan-2-yl)propanamide
CID 93452004
2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 64813064
N-(2-tert-butylcyclohexyl)-3-phenylpropanamide
CID 17147377
N-[(1S,2R)-2-(furan-2-ylmethyl)cyclohexyl]adamantane-1-carboxamide
CID 40573046
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(furan-2-ylmethyl)cyclohexyl]acetamide
CID 75459984
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-phenylpropanamide
CID 76978572
3-(furan-2-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45244355
N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide
CID 122080752
N-[(1S,2R)-2-benzylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 95298751
N-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride
CID 119609655
N-(2-cyanocyclopentyl)-3-phenylpropanamide
CID 62961970
2-[3-(4-phenylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 126584625

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(furan-2-ylmethyl)cyclohexyl]-3-phenylpropanamide?
The IUPAC name of N-[(1R,2R)-2-(furan-2-ylmethyl)cyclohexyl]-3-phenylpropanamide (CID 40505929) is N-[(1R,2R)-2-(furan-2-ylmethyl)cyclohexyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(1R,2R)-2-(furan-2-ylmethyl)cyclohexyl]-3-phenylpropanamide?
The canonical SMILES for N-[(1R,2R)-2-(furan-2-ylmethyl)cyclohexyl]-3-phenylpropanamide is O=C(CCc1ccccc1)N[C@@H]1CCCC[C@@H]1Cc1ccco1.
What is the InChIKey of N-[(1R,2R)-2-(furan-2-ylmethyl)cyclohexyl]-3-phenylpropanamide?
The InChIKey is VOQVDQFARQUJTM-IEBWSBKVSA-N. The full InChI is InChI=1S/C20H25NO2/c22-20(13-12-16-7-2-1-3-8-16)21-19-11-5-4-9-17(19)15-18-10-6-14-23-18/h1-3,6-8,10,14,17,19H,4-5,9,11-13,15H2,(H,21,22)/t17-,19-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(furan-2-ylmethyl)cyclohexyl]-3-phenylpropanamide?
N-[(1R,2R)-2-(furan-2-ylmethyl)cyclohexyl]-3-phenylpropanamide has a molecular weight of 311.42 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(furan-2-ylmethyl)cyclohexyl]-3-phenylpropanamide is sourced from PubChem (CID 40505929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).