(1S,6R)-6-amino-N-[(3-phenoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide

C20H22N2O2 — CID 167936736

IUPAC(1S,6R)-6-amino-N-[(3-phenoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide
SMILESN[C@@H]1CC=CC[C@@H]1C(=O)NCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H22N2O2/c21-19-12-5-4-11-18(19)20(23)22-14-15-7-6-10-17(13-15)24-16-8-2-1-3-9-16/h1-10,13,18-19H,11-12,14,21H2,(H,22,23)/t18-,19+/m0/s1
InChIKeyGHGOSVOVWJTPDI-RBUKOAKNSA-N
MW322.41 g/mol
LogP3.39
Rot. Bonds5

About (1S,6R)-6-amino-N-[(3-phenoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide

(1S,6R)-6-amino-N-[(3-phenoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 167936736) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (1S,6R)-6-amino-N-[(3-phenoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S,6R)-6-amino-N-[(3-phenoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide
PubChem CID167936736
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(1S,6R)-6-amino-N-[(3-phenoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide
SMILESN[C@@H]1CC=CC[C@@H]1C(=O)NCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H22N2O2/c21-19-12-5-4-11-18(19)20(23)22-14-15-7-6-10-17(13-15)24-16-8-2-1-3-9-16/h1-10,13,18-19H,11-12,14,21H2,(H,22,23)/t18-,19+/m0/s1
InChIKeyGHGOSVOVWJTPDI-RBUKOAKNSA-N
XLogP3.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(3-phenoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119732512
1-[[4-(aminomethyl)phenyl]methyl]-3-[(3-phenoxyphenyl)methyl]urea
CID 68878464
N-[[3-[(cyclopent-3-ene-1-carbonylamino)methyl]phenyl]methyl]cyclopent-3-ene-1-carboxamide
CID 75437000
6-formyl-N-[[3-[[(6-formylcyclohex-3-ene-1-carbonyl)amino]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 88882210
(2S)-2-[(3-phenoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 99796479
cis-(1S,2R)-2-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 51412984
(3R)-1-cyclopropyl-5-oxo-N-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 39576791
4-amino-N-[(3-ethoxyphenyl)methyl]oxolane-3-carboxamide
CID 66239651
N-[(3-phenoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56902404
(1R,4Z,8S)-8-amino-N-benzylcyclooct-4-ene-1-carboxamide
CID 101368590
4-[(3-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672581
N-[(3-phenoxyphenyl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 118762065

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-6-amino-N-[(3-phenoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S,6R)-6-amino-N-[(3-phenoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide (CID 167936736) is (1S,6R)-6-amino-N-[(3-phenoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S,6R)-6-amino-N-[(3-phenoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S,6R)-6-amino-N-[(3-phenoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide is N[C@@H]1CC=CC[C@@H]1C(=O)NCc1cccc(Oc2ccccc2)c1.
What is the InChIKey of (1S,6R)-6-amino-N-[(3-phenoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is GHGOSVOVWJTPDI-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H22N2O2/c21-19-12-5-4-11-18(19)20(23)22-14-15-7-6-10-17(13-15)24-16-8-2-1-3-9-16/h1-10,13,18-19H,11-12,14,21H2,(H,22,23)/t18-,19+/m0/s1.
What are the key properties of (1S,6R)-6-amino-N-[(3-phenoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide?
(1S,6R)-6-amino-N-[(3-phenoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-6-amino-N-[(3-phenoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 167936736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).