(4-methoxyphenyl)methyl N-(4-methyl-1-pyridin-3-ylpent-4-en-2-yl)carbamate

C20H24N2O3 — CID 156881533

IUPAC(4-methoxyphenyl)methyl N-(4-methyl-1-pyridin-3-ylpent-4-en-2-yl)carbamate
SMILESC=C(C)CC(Cc1cccnc1)NC(=O)OCc1ccc(OC)cc1
InChIInChI=1S/C20H24N2O3/c1-15(2)11-18(12-17-5-4-10-21-13-17)22-20(23)25-14-16-6-8-19(24-3)9-7-16/h4-10,13,18H,1,11-12,14H2,2-3H3,(H,22,23)
InChIKeyGFPVFJKGXMZLRX-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.89
Rot. Bonds8

About (4-methoxyphenyl)methyl N-(4-methyl-1-pyridin-3-ylpent-4-en-2-yl)carbamate

(4-methoxyphenyl)methyl N-(4-methyl-1-pyridin-3-ylpent-4-en-2-yl)carbamate (PubChem CID 156881533) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl N-(4-methyl-1-pyridin-3-ylpent-4-en-2-yl)carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl N-(4-methyl-1-pyridin-3-ylpent-4-en-2-yl)carbamate
PubChem CID156881533
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(4-methoxyphenyl)methyl N-(4-methyl-1-pyridin-3-ylpent-4-en-2-yl)carbamate
SMILESC=C(C)CC(Cc1cccnc1)NC(=O)OCc1ccc(OC)cc1
InChIInChI=1S/C20H24N2O3/c1-15(2)11-18(12-17-5-4-10-21-13-17)22-20(23)25-14-16-6-8-19(24-3)9-7-16/h4-10,13,18H,1,11-12,14H2,2-3H3,(H,22,23)
InChIKeyGFPVFJKGXMZLRX-UHFFFAOYSA-N
XLogP3.89
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-1-pyridin-3-ylpent-4-en-2-amine
CID 79180331
(2S)-2-[(4-aminophenyl)methoxycarbonylamino]-3-pyridin-3-ylpropanoic acid
CID 146337673
methyl 3-methyl-2-(pyridin-3-ylmethoxycarbonylamino)butanoate
CID 22910259
pyridin-3-ylmethyl N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate
CID 15234551
2-amino-N-(1,7-diphenylheptan-4-yl)-3-pyridin-3-ylpropanamide
CID 18727468
3-methyl-2-(pyridin-3-ylmethoxycarbonylamino)butanoic acid
CID 22903368
ethyl (2S)-3-(4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 10522314
benzyl N-[[4-[[[(2S)-2-amino-3-pyridin-3-ylpropanoyl]amino]methyl]phenyl]methyl]carbamate
CID 71185995
(5-methoxy-3-pyridinyl)methyl N-[(2S)-1-[[(2S,3S,5S)-3-hydroxy-1,6-diphenyl-5-(pyridin-3-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 515744
(4-methoxyphenyl)methyl 4-pyridin-3-yloxybenzoate
CID 60588638
methyl 3-(4-methoxyphenyl)-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 141457843
benzyl N-[[4-[[[(2S)-2-amino-3-pyridin-3-ylpropanoyl]amino]methyl]phenyl]methyl]carbamate;dihydrochloride
CID 89350834

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl N-(4-methyl-1-pyridin-3-ylpent-4-en-2-yl)carbamate?
The IUPAC name of (4-methoxyphenyl)methyl N-(4-methyl-1-pyridin-3-ylpent-4-en-2-yl)carbamate (CID 156881533) is (4-methoxyphenyl)methyl N-(4-methyl-1-pyridin-3-ylpent-4-en-2-yl)carbamate.
What is the SMILES notation for (4-methoxyphenyl)methyl N-(4-methyl-1-pyridin-3-ylpent-4-en-2-yl)carbamate?
The canonical SMILES for (4-methoxyphenyl)methyl N-(4-methyl-1-pyridin-3-ylpent-4-en-2-yl)carbamate is C=C(C)CC(Cc1cccnc1)NC(=O)OCc1ccc(OC)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl N-(4-methyl-1-pyridin-3-ylpent-4-en-2-yl)carbamate?
The InChIKey is GFPVFJKGXMZLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(2)11-18(12-17-5-4-10-21-13-17)22-20(23)25-14-16-6-8-19(24-3)9-7-16/h4-10,13,18H,1,11-12,14H2,2-3H3,(H,22,23).
What are the key properties of (4-methoxyphenyl)methyl N-(4-methyl-1-pyridin-3-ylpent-4-en-2-yl)carbamate?
(4-methoxyphenyl)methyl N-(4-methyl-1-pyridin-3-ylpent-4-en-2-yl)carbamate has a molecular weight of 340.42 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl N-(4-methyl-1-pyridin-3-ylpent-4-en-2-yl)carbamate is sourced from PubChem (CID 156881533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).