N-[4-[2-(diethylamino)ethyl]-3-[(2-ethoxybenzoyl)amino]phenyl]-2-ethoxybenzamide

C30H37N3O4 — CID 54201138

IUPACN-[4-[2-(diethylamino)ethyl]-3-[(2-ethoxybenzoyl)amino]phenyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(CCN(CC)CC)c(NC(=O)c2ccccc2OCC)c1
InChIInChI=1S/C30H37N3O4/c1-5-33(6-2)20-19-22-17-18-23(31-29(34)24-13-9-11-15-27(24)36-7-3)21-26(22)32-30(35)25-14-10-12-16-28(25)37-8-4/h9-18,21H,5-8,19-20H2,1-4H3,(H,31,34)(H,32,35)
InChIKeyPPIHLIYUSUDZPS-UHFFFAOYSA-N
MW503.64 g/mol
LogP5.87
Rot. Bonds13

About N-[4-[2-(diethylamino)ethyl]-3-[(2-ethoxybenzoyl)amino]phenyl]-2-ethoxybenzamide

N-[4-[2-(diethylamino)ethyl]-3-[(2-ethoxybenzoyl)amino]phenyl]-2-ethoxybenzamide (PubChem CID 54201138) has the molecular formula C30H37N3O4 and a molecular weight of 503.64 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethyl]-3-[(2-ethoxybenzoyl)amino]phenyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethyl]-3-[(2-ethoxybenzoyl)amino]phenyl]-2-ethoxybenzamide
PubChem CID54201138
Molecular FormulaC30H37N3O4
Molecular Weight503.64 g/mol
Exact Mass503.28
IUPAC NameN-[4-[2-(diethylamino)ethyl]-3-[(2-ethoxybenzoyl)amino]phenyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(CCN(CC)CC)c(NC(=O)c2ccccc2OCC)c1
InChIInChI=1S/C30H37N3O4/c1-5-33(6-2)20-19-22-17-18-23(31-29(34)24-13-9-11-15-27(24)36-7-3)21-26(22)32-30(35)25-14-10-12-16-28(25)37-8-4/h9-18,21H,5-8,19-20H2,1-4H3,(H,31,34)(H,32,35)
InChIKeyPPIHLIYUSUDZPS-UHFFFAOYSA-N
XLogP5.87
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.64
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 836714
2-ethoxy-N-[4-(propanoylamino)phenyl]benzamide
CID 17204882
2-ethoxy-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 64782949
2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4556792
2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 760215
N-(3-acetylphenyl)-2-ethoxybenzamide
CID 773754
N-(4-amino-3-methoxyphenyl)-2-ethoxybenzamide
CID 61239481
3-carboxy-4-[(2-ethoxybenzoyl)amino]phenolate
CID 54689492
2-ethoxy-N-(4-methoxyphenyl)benzamide
CID 5019237
ethyl N-[4-[(2-ethoxybenzoyl)amino]phenyl]carbamate
CID 110178230
2-ethoxy-N-(4-hydroxy-2-methylphenyl)benzamide
CID 1234633

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethyl]-3-[(2-ethoxybenzoyl)amino]phenyl]-2-ethoxybenzamide?
The IUPAC name of N-[4-[2-(diethylamino)ethyl]-3-[(2-ethoxybenzoyl)amino]phenyl]-2-ethoxybenzamide (CID 54201138) is N-[4-[2-(diethylamino)ethyl]-3-[(2-ethoxybenzoyl)amino]phenyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[4-[2-(diethylamino)ethyl]-3-[(2-ethoxybenzoyl)amino]phenyl]-2-ethoxybenzamide?
The canonical SMILES for N-[4-[2-(diethylamino)ethyl]-3-[(2-ethoxybenzoyl)amino]phenyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1ccc(CCN(CC)CC)c(NC(=O)c2ccccc2OCC)c1.
What is the InChIKey of N-[4-[2-(diethylamino)ethyl]-3-[(2-ethoxybenzoyl)amino]phenyl]-2-ethoxybenzamide?
The InChIKey is PPIHLIYUSUDZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O4/c1-5-33(6-2)20-19-22-17-18-23(31-29(34)24-13-9-11-15-27(24)36-7-3)21-26(22)32-30(35)25-14-10-12-16-28(25)37-8-4/h9-18,21H,5-8,19-20H2,1-4H3,(H,31,34)(H,32,35).
What are the key properties of N-[4-[2-(diethylamino)ethyl]-3-[(2-ethoxybenzoyl)amino]phenyl]-2-ethoxybenzamide?
N-[4-[2-(diethylamino)ethyl]-3-[(2-ethoxybenzoyl)amino]phenyl]-2-ethoxybenzamide has a molecular weight of 503.64 g/mol, XLogP of 5.87, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethyl]-3-[(2-ethoxybenzoyl)amino]phenyl]-2-ethoxybenzamide is sourced from PubChem (CID 54201138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).