2-methylpropyl N-[(2S)-1-[4-(1-ethoxyethenyl)phenyl]-4-hydroxybutan-2-yl]carbamate

C19H29NO4 — CID 69183987

IUPAC2-methylpropyl N-[(2S)-1-[4-(1-ethoxyethenyl)phenyl]-4-hydroxybutan-2-yl]carbamate
SMILESC=C(OCC)c1ccc(C[C@@H](CCO)NC(=O)OCC(C)C)cc1
InChIInChI=1S/C19H29NO4/c1-5-23-15(4)17-8-6-16(7-9-17)12-18(10-11-21)20-19(22)24-13-14(2)3/h6-9,14,18,21H,4-5,10-13H2,1-3H3,(H,20,22)/t18-/m1/s1
InChIKeyIVVGJUFKZQKOHV-GOSISDBHSA-N
MW335.44 g/mol
LogP3.37
Rot. Bonds10

About 2-methylpropyl N-[(2S)-1-[4-(1-ethoxyethenyl)phenyl]-4-hydroxybutan-2-yl]carbamate

2-methylpropyl N-[(2S)-1-[4-(1-ethoxyethenyl)phenyl]-4-hydroxybutan-2-yl]carbamate (PubChem CID 69183987) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is 2-methylpropyl N-[(2S)-1-[4-(1-ethoxyethenyl)phenyl]-4-hydroxybutan-2-yl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[(2S)-1-[4-(1-ethoxyethenyl)phenyl]-4-hydroxybutan-2-yl]carbamate
PubChem CID69183987
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name2-methylpropyl N-[(2S)-1-[4-(1-ethoxyethenyl)phenyl]-4-hydroxybutan-2-yl]carbamate
SMILESC=C(OCC)c1ccc(C[C@@H](CCO)NC(=O)OCC(C)C)cc1
InChIInChI=1S/C19H29NO4/c1-5-23-15(4)17-8-6-16(7-9-17)12-18(10-11-21)20-19(22)24-13-14(2)3/h6-9,14,18,21H,4-5,10-13H2,1-3H3,(H,20,22)/t18-/m1/s1
InChIKeyIVVGJUFKZQKOHV-GOSISDBHSA-N
XLogP3.37
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethoxyethenyl)-4-(2-methylpropyl)benzene
CID 146686998
2-methylpropyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 144792682
2-methylpropyl N-[(2S)-1-hydroxy-3-thiophen-3-ylpropan-2-yl]carbamate
CID 68854928
ethyl 4-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]benzoate
CID 67151474
[(2R)-4-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 142645077
3-chloro-N-[(2S)-1-(4-ethylphenyl)-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide
CID 173146094
4-[(2-methylpropoxycarbonylamino)methyl]benzoic acid
CID 43176413
(2R)-2-(2-methylpropoxycarbonylamino)-4-phenylbutanoic acid
CID 58474049
2-methylpropyl 4-(hydroxymethyl)benzoate
CID 150293038
4-(1-ethoxyethenyl)aniline
CID 90447713
benzyl N-[(3S)-1-hydroxy-5-oxohexan-3-yl]carbamate
CID 59066093
2-methylpropyl N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 142588377

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[(2S)-1-[4-(1-ethoxyethenyl)phenyl]-4-hydroxybutan-2-yl]carbamate?
The IUPAC name of 2-methylpropyl N-[(2S)-1-[4-(1-ethoxyethenyl)phenyl]-4-hydroxybutan-2-yl]carbamate (CID 69183987) is 2-methylpropyl N-[(2S)-1-[4-(1-ethoxyethenyl)phenyl]-4-hydroxybutan-2-yl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[(2S)-1-[4-(1-ethoxyethenyl)phenyl]-4-hydroxybutan-2-yl]carbamate?
The canonical SMILES for 2-methylpropyl N-[(2S)-1-[4-(1-ethoxyethenyl)phenyl]-4-hydroxybutan-2-yl]carbamate is C=C(OCC)c1ccc(C[C@@H](CCO)NC(=O)OCC(C)C)cc1.
What is the InChIKey of 2-methylpropyl N-[(2S)-1-[4-(1-ethoxyethenyl)phenyl]-4-hydroxybutan-2-yl]carbamate?
The InChIKey is IVVGJUFKZQKOHV-GOSISDBHSA-N. The full InChI is InChI=1S/C19H29NO4/c1-5-23-15(4)17-8-6-16(7-9-17)12-18(10-11-21)20-19(22)24-13-14(2)3/h6-9,14,18,21H,4-5,10-13H2,1-3H3,(H,20,22)/t18-/m1/s1.
What are the key properties of 2-methylpropyl N-[(2S)-1-[4-(1-ethoxyethenyl)phenyl]-4-hydroxybutan-2-yl]carbamate?
2-methylpropyl N-[(2S)-1-[4-(1-ethoxyethenyl)phenyl]-4-hydroxybutan-2-yl]carbamate has a molecular weight of 335.44 g/mol, XLogP of 3.37, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[(2S)-1-[4-(1-ethoxyethenyl)phenyl]-4-hydroxybutan-2-yl]carbamate is sourced from PubChem (CID 69183987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).