benzyl N-[(3R)-3-(6-methoxynaphthalen-2-yl)-2-methylpent-4-en-2-yl]carbamate

C25H27NO3 — CID 177449083

IUPACbenzyl N-[(3R)-3-(6-methoxynaphthalen-2-yl)-2-methylpent-4-en-2-yl]carbamate
SMILESC=C[C@H](c1ccc2cc(OC)ccc2c1)C(C)(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C25H27NO3/c1-5-23(21-12-11-20-16-22(28-4)14-13-19(20)15-21)25(2,3)26-24(27)29-17-18-9-7-6-8-10-18/h5-16,23H,1,17H2,2-4H3,(H,26,27)/t23-/m1/s1
InChIKeyQLLFFNHHDSOPIZ-HSZRJFAPSA-N
MW389.50 g/mol
LogP5.82
Rot. Bonds7

About benzyl N-[(3R)-3-(6-methoxynaphthalen-2-yl)-2-methylpent-4-en-2-yl]carbamate

benzyl N-[(3R)-3-(6-methoxynaphthalen-2-yl)-2-methylpent-4-en-2-yl]carbamate (PubChem CID 177449083) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is benzyl N-[(3R)-3-(6-methoxynaphthalen-2-yl)-2-methylpent-4-en-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3R)-3-(6-methoxynaphthalen-2-yl)-2-methylpent-4-en-2-yl]carbamate
PubChem CID177449083
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Namebenzyl N-[(3R)-3-(6-methoxynaphthalen-2-yl)-2-methylpent-4-en-2-yl]carbamate
SMILESC=C[C@H](c1ccc2cc(OC)ccc2c1)C(C)(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C25H27NO3/c1-5-23(21-12-11-20-16-22(28-4)14-13-19(20)15-21)25(2,3)26-24(27)29-17-18-9-7-6-8-10-18/h5-16,23H,1,17H2,2-4H3,(H,26,27)/t23-/m1/s1
InChIKeyQLLFFNHHDSOPIZ-HSZRJFAPSA-N
XLogP5.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[1-(4-methoxyphenyl)but-3-enyl]carbamate
CID 11392783
(4-methoxyphenyl)methyl N-(1-cyano-1-phenylethyl)carbamate
CID 57179451
(2S,3R)-3-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid;(2R,3S)-3-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid
CID 159273376
methyl (2S)-3-(4-methoxyphenyl)-2-[[3-methyl-3-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate
CID 10026366
benzyl N-[(2S)-2,3-dihydroxy-1-(4-methoxyphenyl)propyl]carbamate
CID 126575938
benzyl (2S,3R)-3-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylsulfanylpropanoate
CID 155933231
tert-butyl (2R)-2-[[(2S)-2-[(4-methoxyphenyl)methoxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 10075747
benzyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
CID 102386370
benzyl N-[4-bromo-2,2,3,3-tetrafluoro-1-(4-methoxyphenyl)pent-4-enyl]carbamate
CID 177492413
(3-phenylmethoxyphenyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102519033
(2R)-2-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 54087673
(4-methoxyphenyl)methyl N-(2-phenylethenyl)carbamate
CID 4271861

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3R)-3-(6-methoxynaphthalen-2-yl)-2-methylpent-4-en-2-yl]carbamate?
The IUPAC name of benzyl N-[(3R)-3-(6-methoxynaphthalen-2-yl)-2-methylpent-4-en-2-yl]carbamate (CID 177449083) is benzyl N-[(3R)-3-(6-methoxynaphthalen-2-yl)-2-methylpent-4-en-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(3R)-3-(6-methoxynaphthalen-2-yl)-2-methylpent-4-en-2-yl]carbamate?
The canonical SMILES for benzyl N-[(3R)-3-(6-methoxynaphthalen-2-yl)-2-methylpent-4-en-2-yl]carbamate is C=C[C@H](c1ccc2cc(OC)ccc2c1)C(C)(C)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3R)-3-(6-methoxynaphthalen-2-yl)-2-methylpent-4-en-2-yl]carbamate?
The InChIKey is QLLFFNHHDSOPIZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H27NO3/c1-5-23(21-12-11-20-16-22(28-4)14-13-19(20)15-21)25(2,3)26-24(27)29-17-18-9-7-6-8-10-18/h5-16,23H,1,17H2,2-4H3,(H,26,27)/t23-/m1/s1.
What are the key properties of benzyl N-[(3R)-3-(6-methoxynaphthalen-2-yl)-2-methylpent-4-en-2-yl]carbamate?
benzyl N-[(3R)-3-(6-methoxynaphthalen-2-yl)-2-methylpent-4-en-2-yl]carbamate has a molecular weight of 389.50 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3R)-3-(6-methoxynaphthalen-2-yl)-2-methylpent-4-en-2-yl]carbamate is sourced from PubChem (CID 177449083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).