3-(diethylamino)propyl 4-benzamido-2-ethoxybenzoate

C23H30N2O4 — CID 154193849

IUPAC3-(diethylamino)propyl 4-benzamido-2-ethoxybenzoate
SMILESCCOc1cc(NC(=O)c2ccccc2)ccc1C(=O)OCCCN(CC)CC
InChIInChI=1S/C23H30N2O4/c1-4-25(5-2)15-10-16-29-23(27)20-14-13-19(17-21(20)28-6-3)24-22(26)18-11-8-7-9-12-18/h7-9,11-14,17H,4-6,10,15-16H2,1-3H3,(H,24,26)
InChIKeyFDJPSQGAFKEKMI-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.23
Rot. Bonds11

About 3-(diethylamino)propyl 4-benzamido-2-ethoxybenzoate

3-(diethylamino)propyl 4-benzamido-2-ethoxybenzoate (PubChem CID 154193849) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 3-(diethylamino)propyl 4-benzamido-2-ethoxybenzoate.

Molecular Properties

Compound Name3-(diethylamino)propyl 4-benzamido-2-ethoxybenzoate
PubChem CID154193849
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name3-(diethylamino)propyl 4-benzamido-2-ethoxybenzoate
SMILESCCOc1cc(NC(=O)c2ccccc2)ccc1C(=O)OCCCN(CC)CC
InChIInChI=1S/C23H30N2O4/c1-4-25(5-2)15-10-16-29-23(27)20-14-13-19(17-21(20)28-6-3)24-22(26)18-11-8-7-9-12-18/h7-9,11-14,17H,4-6,10,15-16H2,1-3H3,(H,24,26)
InChIKeyFDJPSQGAFKEKMI-UHFFFAOYSA-N
XLogP4.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-phenylbenzamide
CID 56988348
butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate
CID 100534622
N-[3-(chloromethyl)-4-ethoxyphenyl]benzamide
CID 114302965
4-[(2-ethoxybenzoyl)amino]-2-(2-ethoxybenzoyl)oxybenzoic acid
CID 110178303
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 24658864
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-[4-[2-(diethylamino)ethyl]-3-[(2-ethoxybenzoyl)amino]phenyl]-2-ethoxybenzamide
CID 54201138
N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
CID 1095399
N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781
N-[4-[[(2-ethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 4926581
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)propyl 4-benzamido-2-ethoxybenzoate?
The IUPAC name of 3-(diethylamino)propyl 4-benzamido-2-ethoxybenzoate (CID 154193849) is 3-(diethylamino)propyl 4-benzamido-2-ethoxybenzoate.
What is the SMILES notation for 3-(diethylamino)propyl 4-benzamido-2-ethoxybenzoate?
The canonical SMILES for 3-(diethylamino)propyl 4-benzamido-2-ethoxybenzoate is CCOc1cc(NC(=O)c2ccccc2)ccc1C(=O)OCCCN(CC)CC.
What is the InChIKey of 3-(diethylamino)propyl 4-benzamido-2-ethoxybenzoate?
The InChIKey is FDJPSQGAFKEKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-4-25(5-2)15-10-16-29-23(27)20-14-13-19(17-21(20)28-6-3)24-22(26)18-11-8-7-9-12-18/h7-9,11-14,17H,4-6,10,15-16H2,1-3H3,(H,24,26).
What are the key properties of 3-(diethylamino)propyl 4-benzamido-2-ethoxybenzoate?
3-(diethylamino)propyl 4-benzamido-2-ethoxybenzoate has a molecular weight of 398.50 g/mol, XLogP of 4.23, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)propyl 4-benzamido-2-ethoxybenzoate is sourced from PubChem (CID 154193849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).