N-[2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethanimidoyl]-3-methoxyimino-3-(4-methoxyphenyl)propanamide

C24H30ClN5O4 — CID 148920853

IUPACN-[2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethanimidoyl]-3-methoxyimino-3-(4-methoxyphenyl)propanamide
SMILES[H]/N=C(/Cc1cc(C)c(NC(=O)CN(C)C)c(Cl)c1)NC(=O)CC(=NOC)c1ccc(OC)cc1
InChIInChI=1S/C24H30ClN5O4/c1-15-10-16(11-19(25)24(15)28-23(32)14-30(2)3)12-21(26)27-22(31)13-20(29-34-5)17-6-8-18(33-4)9-7-17/h6-11H,12-14H2,1-5H3,(H,28,32)(H2,26,27,31)
InChIKeyWLXKMHABVBNDAV-UHFFFAOYSA-N
MW487.99 g/mol
LogP3.23
Rot. Bonds10

About N-[2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethanimidoyl]-3-methoxyimino-3-(4-methoxyphenyl)propanamide

N-[2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethanimidoyl]-3-methoxyimino-3-(4-methoxyphenyl)propanamide (PubChem CID 148920853) has the molecular formula C24H30ClN5O4 and a molecular weight of 487.99 g/mol. Its IUPAC name is N-[2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethanimidoyl]-3-methoxyimino-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethanimidoyl]-3-methoxyimino-3-(4-methoxyphenyl)propanamide
PubChem CID148920853
Molecular FormulaC24H30ClN5O4
Molecular Weight487.99 g/mol
Exact Mass487.20
IUPAC NameN-[2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethanimidoyl]-3-methoxyimino-3-(4-methoxyphenyl)propanamide
SMILES[H]/N=C(/Cc1cc(C)c(NC(=O)CN(C)C)c(Cl)c1)NC(=O)CC(=NOC)c1ccc(OC)cc1
InChIInChI=1S/C24H30ClN5O4/c1-15-10-16(11-19(25)24(15)28-23(32)14-30(2)3)12-21(26)27-22(31)13-20(29-34-5)17-6-8-18(33-4)9-7-17/h6-11H,12-14H2,1-5H3,(H,28,32)(H2,26,27,31)
InChIKeyWLXKMHABVBNDAV-UHFFFAOYSA-N
XLogP3.23
TPSA116.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.99
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethanimidoyl]-3-methoxyimino-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethanimidoyl]-3-methoxyimino-3-(4-methoxyphenyl)propanamide (CID 148920853) is N-[2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethanimidoyl]-3-methoxyimino-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethanimidoyl]-3-methoxyimino-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethanimidoyl]-3-methoxyimino-3-(4-methoxyphenyl)propanamide is [H]/N=C(/Cc1cc(C)c(NC(=O)CN(C)C)c(Cl)c1)NC(=O)CC(=NOC)c1ccc(OC)cc1.
What is the InChIKey of N-[2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethanimidoyl]-3-methoxyimino-3-(4-methoxyphenyl)propanamide?
The InChIKey is WLXKMHABVBNDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O4/c1-15-10-16(11-19(25)24(15)28-23(32)14-30(2)3)12-21(26)27-22(31)13-20(29-34-5)17-6-8-18(33-4)9-7-17/h6-11H,12-14H2,1-5H3,(H,28,32)(H2,26,27,31).
What are the key properties of N-[2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethanimidoyl]-3-methoxyimino-3-(4-methoxyphenyl)propanamide?
N-[2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethanimidoyl]-3-methoxyimino-3-(4-methoxyphenyl)propanamide has a molecular weight of 487.99 g/mol, XLogP of 3.23, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethanimidoyl]-3-methoxyimino-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 148920853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).