N-butan-2-yl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzamide

C24H32N2O4 — CID 42703855

IUPACN-butan-2-yl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzamide
SMILESCCC(C)N(CCC(=O)NCCc1ccc(OC)c(OC)c1)C(=O)c1ccccc1
InChIInChI=1S/C24H32N2O4/c1-5-18(2)26(24(28)20-9-7-6-8-10-20)16-14-23(27)25-15-13-19-11-12-21(29-3)22(17-19)30-4/h6-12,17-18H,5,13-16H2,1-4H3,(H,25,27)
InChIKeyFNDOYOQDCCGHTJ-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.69
Rot. Bonds11

About N-butan-2-yl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzamide

N-butan-2-yl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzamide (PubChem CID 42703855) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-butan-2-yl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzamide
PubChem CID42703855
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC NameN-butan-2-yl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzamide
SMILESCCC(C)N(CCC(=O)NCCc1ccc(OC)c(OC)c1)C(=O)c1ccccc1
InChIInChI=1S/C24H32N2O4/c1-5-18(2)26(24(28)20-9-7-6-8-10-20)16-14-23(27)25-15-13-19-11-12-21(29-3)22(17-19)30-4/h6-12,17-18H,5,13-16H2,1-4H3,(H,25,27)
InChIKeyFNDOYOQDCCGHTJ-UHFFFAOYSA-N
XLogP3.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-3,4,5-trimethoxybenzamide
CID 42703860
3-[butan-2-yl-[(E)-3-phenylprop-2-enoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 42703866
3-[butan-2-yl(butylcarbamoyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 42703578
N-butan-2-yl-2,4-dichloro-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 42703858
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[phenylcarbamoyl(1-phenylethyl)amino]propanamide
CID 42703210
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
CID 20969090
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(1R)-1-phenylethyl]butanediamide
CID 7301185
3-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 113115368
3-(3-acetylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 109027780
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide
CID 10471777
2-[acetyl(benzyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 133148863
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 18206703

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzamide?
The IUPAC name of N-butan-2-yl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzamide (CID 42703855) is N-butan-2-yl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-butan-2-yl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzamide?
The canonical SMILES for N-butan-2-yl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzamide is CCC(C)N(CCC(=O)NCCc1ccc(OC)c(OC)c1)C(=O)c1ccccc1.
What is the InChIKey of N-butan-2-yl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzamide?
The InChIKey is FNDOYOQDCCGHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-5-18(2)26(24(28)20-9-7-6-8-10-20)16-14-23(27)25-15-13-19-11-12-21(29-3)22(17-19)30-4/h6-12,17-18H,5,13-16H2,1-4H3,(H,25,27).
What are the key properties of N-butan-2-yl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzamide?
N-butan-2-yl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzamide has a molecular weight of 412.53 g/mol, XLogP of 3.69, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 42703855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).