(2S)-N-[(2-methoxyphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

C20H22N2O3 — CID 9270227

IUPAC(2S)-N-[(2-methoxyphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
SMILESCOc1ccccc1CNC(=O)[C@H](C)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-15(22-19(23)13-12-16-8-4-3-5-9-16)20(24)21-14-17-10-6-7-11-18(17)25-2/h3-13,15H,14H2,1-2H3,(H,21,24)(H,22,23)/b13-12+/t15-/m0/s1
InChIKeyZBQWHMXESXQZHE-LHNRBYRGSA-N
MW338.41 g/mol
LogP2.53
Rot. Bonds7

About (2S)-N-[(2-methoxyphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

(2S)-N-[(2-methoxyphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide (PubChem CID 9270227) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2S)-N-[(2-methoxyphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[(2-methoxyphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
PubChem CID9270227
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(2S)-N-[(2-methoxyphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
SMILESCOc1ccccc1CNC(=O)[C@H](C)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-15(22-19(23)13-12-16-8-4-3-5-9-16)20(24)21-14-17-10-6-7-11-18(17)25-2/h3-13,15H,14H2,1-2H3,(H,21,24)(H,22,23)/b13-12+/t15-/m0/s1
InChIKeyZBQWHMXESXQZHE-LHNRBYRGSA-N
XLogP2.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyphenoxy)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51161276
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-phenylprop-2-enoylamino)propanamide
CID 110908948
N-[(6-methoxy-3-pyridinyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51306230
N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18159105
N-(2-hydroxyethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 110877634
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 18163602
N-[(4-methoxyphenyl)methyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 18162307
N-[[4-(dimethylamino)phenyl]methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51221756
N-methyl-2-(3-phenylprop-2-enoylamino)propanamide
CID 75266241
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 18075413
N-[(3-chlorophenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51163645
(E)-3-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 115342604

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-methoxyphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The IUPAC name of (2S)-N-[(2-methoxyphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide (CID 9270227) is (2S)-N-[(2-methoxyphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide.
What is the SMILES notation for (2S)-N-[(2-methoxyphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The canonical SMILES for (2S)-N-[(2-methoxyphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide is COc1ccccc1CNC(=O)[C@H](C)NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (2S)-N-[(2-methoxyphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The InChIKey is ZBQWHMXESXQZHE-LHNRBYRGSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-15(22-19(23)13-12-16-8-4-3-5-9-16)20(24)21-14-17-10-6-7-11-18(17)25-2/h3-13,15H,14H2,1-2H3,(H,21,24)(H,22,23)/b13-12+/t15-/m0/s1.
What are the key properties of (2S)-N-[(2-methoxyphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
(2S)-N-[(2-methoxyphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide has a molecular weight of 338.41 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-methoxyphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide is sourced from PubChem (CID 9270227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).