N-[(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]prop-2-enamide

C19H21NO4 — CID 139017490

IUPACN-[(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]prop-2-enamide
SMILESC=CC(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1OC
InChIInChI=1S/C19H21NO4/c1-5-18(21)20-19(13-6-8-14(22-2)9-7-13)16-11-10-15(23-3)12-17(16)24-4/h5-12,19H,1H2,2-4H3,(H,20,21)
InChIKeyIHRRYKCQDUXYMB-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.10
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]prop-2-enamide

N-[(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]prop-2-enamide (PubChem CID 139017490) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]prop-2-enamide
PubChem CID139017490
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-[(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]prop-2-enamide
SMILESC=CC(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1OC
InChIInChI=1S/C19H21NO4/c1-5-18(21)20-19(13-6-8-14(22-2)9-7-13)16-11-10-15(23-3)12-17(16)24-4/h5-12,19H,1H2,2-4H3,(H,20,21)
InChIKeyIHRRYKCQDUXYMB-UHFFFAOYSA-N
XLogP3.10
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(S)-(2,4-dimethoxyphenyl)-formamidomethyl]phenoxy]acetic acid
CID 87765719
N-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]prop-2-enamide
CID 102482362
2,2-difluoro-N-[(R)-(2-methoxyphenyl)-(4-methoxyphenyl)methyl]acetamide
CID 100703367
N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 881958
2-(2,4-dimethoxyphenyl)-2-(methylamino)acetamide
CID 60797020
N-[bis(4-methylphenyl)methyl]-2-[4-[(2,4-dimethoxyphenyl)-(methylamino)methyl]phenoxy]acetamide
CID 142609037
N-[(S)-(2-methoxyphenyl)-(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 129432320
N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide
CID 51346106
N-[bis(2-methoxyphenyl)methyl]-2-(4-methoxyphenyl)propanamide
CID 175079399
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-enylamino)acetamide
CID 79285372
2-chloro-2-(2,4-dimethoxyphenyl)-N-propan-2-ylacetamide
CID 55048004
2,4-dimethoxy-1-(1-nitroprop-2-enyl)benzene
CID 87647000

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]prop-2-enamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]prop-2-enamide (CID 139017490) is N-[(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]prop-2-enamide is C=CC(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1OC.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]prop-2-enamide?
The InChIKey is IHRRYKCQDUXYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-5-18(21)20-19(13-6-8-14(22-2)9-7-13)16-11-10-15(23-3)12-17(16)24-4/h5-12,19H,1H2,2-4H3,(H,20,21).
What are the key properties of N-[(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]prop-2-enamide?
N-[(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]prop-2-enamide has a molecular weight of 327.38 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 139017490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).