cis-(1S,2R)-2-hydroxy-4,4-dimethyl-N-phenylmethoxycyclopentane-1-carboxamide

C15H21NO3 — CID 101199184

IUPACcis-(1S,2R)-2-hydroxy-4,4-dimethyl-N-phenylmethoxycyclopentane-1-carboxamide
SMILESCC1(C)C[C@@H](O)[C@@H](C(=O)NOCc2ccccc2)C1
InChIInChI=1S/C15H21NO3/c1-15(2)8-12(13(17)9-15)14(18)16-19-10-11-6-4-3-5-7-11/h3-7,12-13,17H,8-10H2,1-2H3,(H,16,18)/t12-,13+/m0/s1
InChIKeyIPNYRRSKKVUKDL-QWHCGFSZSA-N
MW263.34 g/mol
LogP2.03
Rot. Bonds4

About cis-(1S,2R)-2-hydroxy-4,4-dimethyl-N-phenylmethoxycyclopentane-1-carboxamide

cis-(1S,2R)-2-hydroxy-4,4-dimethyl-N-phenylmethoxycyclopentane-1-carboxamide (PubChem CID 101199184) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is cis-(1S,2R)-2-hydroxy-4,4-dimethyl-N-phenylmethoxycyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-hydroxy-4,4-dimethyl-N-phenylmethoxycyclopentane-1-carboxamide
PubChem CID101199184
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namecis-(1S,2R)-2-hydroxy-4,4-dimethyl-N-phenylmethoxycyclopentane-1-carboxamide
SMILESCC1(C)C[C@@H](O)[C@@H](C(=O)NOCc2ccccc2)C1
InChIInChI=1S/C15H21NO3/c1-15(2)8-12(13(17)9-15)14(18)16-19-10-11-6-4-3-5-7-11/h3-7,12-13,17H,8-10H2,1-2H3,(H,16,18)/t12-,13+/m0/s1
InChIKeyIPNYRRSKKVUKDL-QWHCGFSZSA-N
XLogP2.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-phenylmethoxycyclohexane-1-carboxamide
CID 79005762
1-methyl-3-phenylmethoxyurea
CID 14227198
2,4,5-trimethyl-N-phenylmethoxyoxolane-3-carboxamide
CID 65155453
N-phenylmethoxy-8-oxabicyclo[3.2.1]octane-3-carboxamide
CID 142647733
(2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide
CID 103648882
3-(4-fluorophenyl)-N-phenylmethoxypyrazolidine-4-carboxamide
CID 74760091
N-phenylmethoxy-1,4-dioxane-2-carboxamide
CID 60756176
1-(4-hydroxycyclohexyl)-3-phenylmethoxyurea
CID 47217884
1,3,3-trimethyl-6-phenylmethoxy-N-[[(1R,4S,6S)-1,3,3-trimethyl-6-phenylmethoxy-2-oxabicyclo[2.2.1]heptane-4-carbonyl]carbamoyl]-2-oxabicyclo[2.2.1]heptane-4-carboxamide
CID 70469630
(2S)-4-azido-3-hydroxy-N-phenylmethoxypyrrolidine-2-carboxamide
CID 59162850
(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
(2R)-N-phenylmethoxy-2,3-dihydro-1-benzofuran-2-carboxamide
CID 32578805

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-hydroxy-4,4-dimethyl-N-phenylmethoxycyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-hydroxy-4,4-dimethyl-N-phenylmethoxycyclopentane-1-carboxamide (CID 101199184) is cis-(1S,2R)-2-hydroxy-4,4-dimethyl-N-phenylmethoxycyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-hydroxy-4,4-dimethyl-N-phenylmethoxycyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-hydroxy-4,4-dimethyl-N-phenylmethoxycyclopentane-1-carboxamide is CC1(C)C[C@@H](O)[C@@H](C(=O)NOCc2ccccc2)C1.
What is the InChIKey of cis-(1S,2R)-2-hydroxy-4,4-dimethyl-N-phenylmethoxycyclopentane-1-carboxamide?
The InChIKey is IPNYRRSKKVUKDL-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2)8-12(13(17)9-15)14(18)16-19-10-11-6-4-3-5-7-11/h3-7,12-13,17H,8-10H2,1-2H3,(H,16,18)/t12-,13+/m0/s1.
What are the key properties of cis-(1S,2R)-2-hydroxy-4,4-dimethyl-N-phenylmethoxycyclopentane-1-carboxamide?
cis-(1S,2R)-2-hydroxy-4,4-dimethyl-N-phenylmethoxycyclopentane-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-hydroxy-4,4-dimethyl-N-phenylmethoxycyclopentane-1-carboxamide is sourced from PubChem (CID 101199184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).