4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide

C23H31N3O3 — CID 54835007

IUPAC4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NCC(=O)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H31N3O3/c1-4-14-26(15-5-2)23(28)19-8-10-20(11-9-19)24-17-22(27)25-16-18-6-12-21(29-3)13-7-18/h6-13,24H,4-5,14-17H2,1-3H3,(H,25,27)
InChIKeyHKENQXCLWMTXPB-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.69
Rot. Bonds11

About 4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide

4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide (PubChem CID 54835007) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
PubChem CID54835007
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NCC(=O)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H31N3O3/c1-4-14-26(15-5-2)23(28)19-8-10-20(11-9-19)24-17-22(27)25-16-18-6-12-21(29-3)13-7-18/h6-13,24H,4-5,14-17H2,1-3H3,(H,25,27)
InChIKeyHKENQXCLWMTXPB-UHFFFAOYSA-N
XLogP3.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840266
4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54831987
N-(2-methoxyethyl)-4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 54836212
methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54816864
4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832147
4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54813932
N-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 108998649
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832179
4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832146
4-[[2-(4-hexoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820826
4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832241
4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54811247

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide (CID 54835007) is 4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(NCC(=O)NCc2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide?
The InChIKey is HKENQXCLWMTXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-4-14-26(15-5-2)23(28)19-8-10-20(11-9-19)24-17-22(27)25-16-18-6-12-21(29-3)13-7-18/h6-13,24H,4-5,14-17H2,1-3H3,(H,25,27).
What are the key properties of 4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide?
4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide has a molecular weight of 397.52 g/mol, XLogP of 3.69, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54835007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).