N-[(2R)-but-3-en-2-yl]-N-(4-methoxyphenyl)benzamide

C18H19NO2 — CID 12035937

IUPACN-[(2R)-but-3-en-2-yl]-N-(4-methoxyphenyl)benzamide
SMILESC=C[C@@H](C)N(C(=O)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H19NO2/c1-4-14(2)19(16-10-12-17(21-3)13-11-16)18(20)15-8-6-5-7-9-15/h4-14H,1H2,2-3H3/t14-/m1/s1
InChIKeyPKUVQRFWBVICGP-CQSZACIVSA-N
MW281.36 g/mol
LogP3.92
Rot. Bonds5

About N-[(2R)-but-3-en-2-yl]-N-(4-methoxyphenyl)benzamide

N-[(2R)-but-3-en-2-yl]-N-(4-methoxyphenyl)benzamide (PubChem CID 12035937) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(2R)-but-3-en-2-yl]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-but-3-en-2-yl]-N-(4-methoxyphenyl)benzamide
PubChem CID12035937
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-[(2R)-but-3-en-2-yl]-N-(4-methoxyphenyl)benzamide
SMILESC=C[C@@H](C)N(C(=O)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H19NO2/c1-4-14(2)19(16-10-12-17(21-3)13-11-16)18(20)15-8-6-5-7-9-15/h4-14H,1H2,2-3H3/t14-/m1/s1
InChIKeyPKUVQRFWBVICGP-CQSZACIVSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-en-2-yl-4-chloro-N-phenylbenzamide
CID 175533632
4-methoxy-N-phenyl-N-[(1S)-1-phenylethyl]benzamide
CID 162689980
6-methoxy-N-phenyl-N-propan-2-ylnaphthalene-2-carboxamide;hydrate
CID 110169848
N-(4-methoxyphenyl)-N-(2-methyl-3-oxo-3-phenylpropyl)prop-2-enamide
CID 101380965
N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 122136174
(2S,3R)-1-(4-methoxyphenyl)-2,3-dimethylpent-4-en-1-one
CID 132529754
3-methoxy-N-(4-methoxyphenyl)-N-phenylbenzamide
CID 23582269
N-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)benzamide
CID 154952087
4-methoxy-N-[(1R)-1-phenylbut-3-enyl]-N-[(1S)-1-phenylethyl]benzamide
CID 101155758
2,2,2-trifluoro-N-(4-methoxyphenyl)-N-(5-methylhex-1-en-3-yl)acetamide
CID 77146558
3-(4-methoxyphenyl)-N-phenyl-N-propan-2-ylpropanamide
CID 87009451
N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987108

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-but-3-en-2-yl]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of N-[(2R)-but-3-en-2-yl]-N-(4-methoxyphenyl)benzamide (CID 12035937) is N-[(2R)-but-3-en-2-yl]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for N-[(2R)-but-3-en-2-yl]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for N-[(2R)-but-3-en-2-yl]-N-(4-methoxyphenyl)benzamide is C=C[C@@H](C)N(C(=O)c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of N-[(2R)-but-3-en-2-yl]-N-(4-methoxyphenyl)benzamide?
The InChIKey is PKUVQRFWBVICGP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19NO2/c1-4-14(2)19(16-10-12-17(21-3)13-11-16)18(20)15-8-6-5-7-9-15/h4-14H,1H2,2-3H3/t14-/m1/s1.
What are the key properties of N-[(2R)-but-3-en-2-yl]-N-(4-methoxyphenyl)benzamide?
N-[(2R)-but-3-en-2-yl]-N-(4-methoxyphenyl)benzamide has a molecular weight of 281.36 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-but-3-en-2-yl]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 12035937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).