(5S)-N-tert-butyl-6-phenylmethoxy-5-[(4-phenylphenyl)methyl]hept-6-enamide

C31H37NO2 — CID 142354573

IUPAC(5S)-N-tert-butyl-6-phenylmethoxy-5-[(4-phenylphenyl)methyl]hept-6-enamide
SMILESC=C(OCc1ccccc1)[C@@H](CCCC(=O)NC(C)(C)C)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H37NO2/c1-24(34-23-26-12-7-5-8-13-26)29(16-11-17-30(33)32-31(2,3)4)22-25-18-20-28(21-19-25)27-14-9-6-10-15-27/h5-10,12-15,18-21,29H,1,11,16-17,22-23H2,2-4H3,(H,32,33)/t29-/m0/s1
InChIKeyRTCIHDLIXHGCNL-LJAQVGFWSA-N
MW455.64 g/mol
LogP7.33
Rot. Bonds11

About (5S)-N-tert-butyl-6-phenylmethoxy-5-[(4-phenylphenyl)methyl]hept-6-enamide

(5S)-N-tert-butyl-6-phenylmethoxy-5-[(4-phenylphenyl)methyl]hept-6-enamide (PubChem CID 142354573) has the molecular formula C31H37NO2 and a molecular weight of 455.64 g/mol. Its IUPAC name is (5S)-N-tert-butyl-6-phenylmethoxy-5-[(4-phenylphenyl)methyl]hept-6-enamide.

Molecular Properties

Compound Name(5S)-N-tert-butyl-6-phenylmethoxy-5-[(4-phenylphenyl)methyl]hept-6-enamide
PubChem CID142354573
Molecular FormulaC31H37NO2
Molecular Weight455.64 g/mol
Exact Mass455.28
IUPAC Name(5S)-N-tert-butyl-6-phenylmethoxy-5-[(4-phenylphenyl)methyl]hept-6-enamide
SMILESC=C(OCc1ccccc1)[C@@H](CCCC(=O)NC(C)(C)C)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H37NO2/c1-24(34-23-26-12-7-5-8-13-26)29(16-11-17-30(33)32-31(2,3)4)22-25-18-20-28(21-19-25)27-14-9-6-10-15-27/h5-10,12-15,18-21,29H,1,11,16-17,22-23H2,2-4H3,(H,32,33)/t29-/m0/s1
InChIKeyRTCIHDLIXHGCNL-LJAQVGFWSA-N
XLogP7.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.64
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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CID 597400
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benzyl 6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 118694343
6-methyl-5-(1-phenylmethoxyethenyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridin-2-one
CID 66827719
(6R)-4-[4-(4-fluorophenyl)phenyl]-6-(phenylmethoxymethyl)decanamide
CID 67717514
benzyl 2-[(4R)-4-(3,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-5-yl]acetate
CID 70230082
3-cyclopentyl-N-[1-ethyl-4-[(4-fluorophenyl)methoxy]-2-methylcyclohexa-2,4-dien-1-yl]propanamide
CID 143927928
N-(4-methoxy-1-methyl-2,4,6-triphenylcyclohexa-2,5-dien-1-yl)acetamide
CID 12729556
(E,2S,3R)-2-benzyl-3-methyl-N-[(1R)-1-phenylethyl]-7-phenylmethoxyhept-4-enamide
CID 44179733
(1R,2R,3S)-N-tert-butyl-2-methyl-2-phenyl-3-phenylmethoxycyclopropane-1-carboxamide
CID 102497858
(3Z,5Z)-6-methoxy-2,5,6-triphenyl-N-propan-2-ylhexa-3,5-dienamide
CID 134873197

Frequently Asked Questions

What is the IUPAC name of (5S)-N-tert-butyl-6-phenylmethoxy-5-[(4-phenylphenyl)methyl]hept-6-enamide?
The IUPAC name of (5S)-N-tert-butyl-6-phenylmethoxy-5-[(4-phenylphenyl)methyl]hept-6-enamide (CID 142354573) is (5S)-N-tert-butyl-6-phenylmethoxy-5-[(4-phenylphenyl)methyl]hept-6-enamide.
What is the SMILES notation for (5S)-N-tert-butyl-6-phenylmethoxy-5-[(4-phenylphenyl)methyl]hept-6-enamide?
The canonical SMILES for (5S)-N-tert-butyl-6-phenylmethoxy-5-[(4-phenylphenyl)methyl]hept-6-enamide is C=C(OCc1ccccc1)[C@@H](CCCC(=O)NC(C)(C)C)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (5S)-N-tert-butyl-6-phenylmethoxy-5-[(4-phenylphenyl)methyl]hept-6-enamide?
The InChIKey is RTCIHDLIXHGCNL-LJAQVGFWSA-N. The full InChI is InChI=1S/C31H37NO2/c1-24(34-23-26-12-7-5-8-13-26)29(16-11-17-30(33)32-31(2,3)4)22-25-18-20-28(21-19-25)27-14-9-6-10-15-27/h5-10,12-15,18-21,29H,1,11,16-17,22-23H2,2-4H3,(H,32,33)/t29-/m0/s1.
What are the key properties of (5S)-N-tert-butyl-6-phenylmethoxy-5-[(4-phenylphenyl)methyl]hept-6-enamide?
(5S)-N-tert-butyl-6-phenylmethoxy-5-[(4-phenylphenyl)methyl]hept-6-enamide has a molecular weight of 455.64 g/mol, XLogP of 7.33, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-tert-butyl-6-phenylmethoxy-5-[(4-phenylphenyl)methyl]hept-6-enamide is sourced from PubChem (CID 142354573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).