(2S)-N-[(1R)-cyclohex-2-en-1-yl]-2-methoxy-2-phenylacetamide

C15H19NO2 — CID 10060436

IUPAC(2S)-N-[(1R)-cyclohex-2-en-1-yl]-2-methoxy-2-phenylacetamide
SMILESCO[C@H](C(=O)N[C@H]1C=CCCC1)c1ccccc1
InChIInChI=1S/C15H19NO2/c1-18-14(12-8-4-2-5-9-12)15(17)16-13-10-6-3-7-11-13/h2,4-6,8-10,13-14H,3,7,11H2,1H3,(H,16,17)/t13-,14-/m0/s1
InChIKeyZVPGFLSWUCWRBF-KBPBESRZSA-N
MW245.32 g/mol
LogP2.60
Rot. Bonds4

About (2S)-N-[(1R)-cyclohex-2-en-1-yl]-2-methoxy-2-phenylacetamide

(2S)-N-[(1R)-cyclohex-2-en-1-yl]-2-methoxy-2-phenylacetamide (PubChem CID 10060436) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (2S)-N-[(1R)-cyclohex-2-en-1-yl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-cyclohex-2-en-1-yl]-2-methoxy-2-phenylacetamide
PubChem CID10060436
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(2S)-N-[(1R)-cyclohex-2-en-1-yl]-2-methoxy-2-phenylacetamide
SMILESCO[C@H](C(=O)N[C@H]1C=CCCC1)c1ccccc1
InChIInChI=1S/C15H19NO2/c1-18-14(12-8-4-2-5-9-12)15(17)16-13-10-6-3-7-11-13/h2,4-6,8-10,13-14H,3,7,11H2,1H3,(H,16,17)/t13-,14-/m0/s1
InChIKeyZVPGFLSWUCWRBF-KBPBESRZSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
(2R)-N-cyclohexyl-2-methoxy-2-phenylacetamide
CID 101462807
methyl 2-(cyclohex-2-en-1-ylamino)-2-phenylacetate
CID 115618836
N-(1,1-dioxothian-4-yl)-2-methoxy-2-phenylacetamide
CID 131950375
(2R)-N-cyclopentyl-2-[[(2S)-2-methoxy-2-phenylacetyl]amino]propanamide
CID 95303216
2-cyclopentyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-phenylacetamide
CID 111697096
(2R)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-2-phenylacetamide
CID 99117467
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
(2R)-2-amino-N-cyclohex-2-en-1-ylpropanamide;hydrochloride
CID 130677946
N-(1-phenylethyl)cyclohex-2-en-1-amine
CID 103846518
benzyl N-[(1S)-cyclohex-2-en-1-yl]carbamate
CID 129365778
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-cyclohex-2-en-1-yl]-2-methoxy-2-phenylacetamide?
The IUPAC name of (2S)-N-[(1R)-cyclohex-2-en-1-yl]-2-methoxy-2-phenylacetamide (CID 10060436) is (2S)-N-[(1R)-cyclohex-2-en-1-yl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[(1R)-cyclohex-2-en-1-yl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for (2S)-N-[(1R)-cyclohex-2-en-1-yl]-2-methoxy-2-phenylacetamide is CO[C@H](C(=O)N[C@H]1C=CCCC1)c1ccccc1.
What is the InChIKey of (2S)-N-[(1R)-cyclohex-2-en-1-yl]-2-methoxy-2-phenylacetamide?
The InChIKey is ZVPGFLSWUCWRBF-KBPBESRZSA-N. The full InChI is InChI=1S/C15H19NO2/c1-18-14(12-8-4-2-5-9-12)15(17)16-13-10-6-3-7-11-13/h2,4-6,8-10,13-14H,3,7,11H2,1H3,(H,16,17)/t13-,14-/m0/s1.
What are the key properties of (2S)-N-[(1R)-cyclohex-2-en-1-yl]-2-methoxy-2-phenylacetamide?
(2S)-N-[(1R)-cyclohex-2-en-1-yl]-2-methoxy-2-phenylacetamide has a molecular weight of 245.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-cyclohex-2-en-1-yl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 10060436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).