methyl (NZ)-N-[(3S)-3-benzamido-3-naphthalen-2-yl-1-phenylpropylidene]carbamate

C28H24N2O3 — CID 135054372

IUPACmethyl (NZ)-N-[(3S)-3-benzamido-3-naphthalen-2-yl-1-phenylpropylidene]carbamate
SMILESCOC(=O)/N=C(/C[C@H](NC(=O)c1ccccc1)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C28H24N2O3/c1-33-28(32)30-25(21-11-4-2-5-12-21)19-26(29-27(31)22-13-6-3-7-14-22)24-17-16-20-10-8-9-15-23(20)18-24/h2-18,26H,19H2,1H3,(H,29,31)/b30-25-/t26-/m0/s1
InChIKeyRLAKGFCXHMXKLC-LOOJUHQMSA-N
MW436.51 g/mol
LogP5.96
Rot. Bonds6

About methyl (NZ)-N-[(3S)-3-benzamido-3-naphthalen-2-yl-1-phenylpropylidene]carbamate

methyl (NZ)-N-[(3S)-3-benzamido-3-naphthalen-2-yl-1-phenylpropylidene]carbamate (PubChem CID 135054372) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is methyl (NZ)-N-[(3S)-3-benzamido-3-naphthalen-2-yl-1-phenylpropylidene]carbamate.

Molecular Properties

Compound Namemethyl (NZ)-N-[(3S)-3-benzamido-3-naphthalen-2-yl-1-phenylpropylidene]carbamate
PubChem CID135054372
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC Namemethyl (NZ)-N-[(3S)-3-benzamido-3-naphthalen-2-yl-1-phenylpropylidene]carbamate
SMILESCOC(=O)/N=C(/C[C@H](NC(=O)c1ccccc1)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C28H24N2O3/c1-33-28(32)30-25(21-11-4-2-5-12-21)19-26(29-27(31)22-13-6-3-7-14-22)24-17-16-20-10-8-9-15-23(20)18-24/h2-18,26H,19H2,1H3,(H,29,31)/b30-25-/t26-/m0/s1
InChIKeyRLAKGFCXHMXKLC-LOOJUHQMSA-N
XLogP5.96
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide
CID 58633293
4-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 977744
methyl 3-(4-bromophenyl)-3-(naphthalene-2-carbonylamino)propanoate
CID 134015803
N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-methoxypropoxy)benzamide;hydrochloride
CID 120567754
methyl (2R)-2-naphthalen-2-yl-4-oxo-4-phenylbutanoate
CID 177394965
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
methyl 2-naphthalen-2-yl-4-oxo-4-phenylbutanoate
CID 102072351
methyl 3-(4-acetylphenyl)-3-benzamidopropanoate
CID 18797721
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
3-benzamido-3-phenylpropanoic acid
CID 2834576
3-(4-tert-butylphenyl)-3-[(3-methoxybenzoyl)amino]propanoic acid
CID 3537441

Frequently Asked Questions

What is the IUPAC name of methyl (NZ)-N-[(3S)-3-benzamido-3-naphthalen-2-yl-1-phenylpropylidene]carbamate?
The IUPAC name of methyl (NZ)-N-[(3S)-3-benzamido-3-naphthalen-2-yl-1-phenylpropylidene]carbamate (CID 135054372) is methyl (NZ)-N-[(3S)-3-benzamido-3-naphthalen-2-yl-1-phenylpropylidene]carbamate.
What is the SMILES notation for methyl (NZ)-N-[(3S)-3-benzamido-3-naphthalen-2-yl-1-phenylpropylidene]carbamate?
The canonical SMILES for methyl (NZ)-N-[(3S)-3-benzamido-3-naphthalen-2-yl-1-phenylpropylidene]carbamate is COC(=O)/N=C(/C[C@H](NC(=O)c1ccccc1)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of methyl (NZ)-N-[(3S)-3-benzamido-3-naphthalen-2-yl-1-phenylpropylidene]carbamate?
The InChIKey is RLAKGFCXHMXKLC-LOOJUHQMSA-N. The full InChI is InChI=1S/C28H24N2O3/c1-33-28(32)30-25(21-11-4-2-5-12-21)19-26(29-27(31)22-13-6-3-7-14-22)24-17-16-20-10-8-9-15-23(20)18-24/h2-18,26H,19H2,1H3,(H,29,31)/b30-25-/t26-/m0/s1.
What are the key properties of methyl (NZ)-N-[(3S)-3-benzamido-3-naphthalen-2-yl-1-phenylpropylidene]carbamate?
methyl (NZ)-N-[(3S)-3-benzamido-3-naphthalen-2-yl-1-phenylpropylidene]carbamate has a molecular weight of 436.51 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (NZ)-N-[(3S)-3-benzamido-3-naphthalen-2-yl-1-phenylpropylidene]carbamate is sourced from PubChem (CID 135054372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).