4-methoxy-N-[4-[3-(2-methylpropylamino)-3-oxopropyl]phenyl]benzamide

C21H26N2O3 — CID 17359995

IUPAC4-methoxy-N-[4-[3-(2-methylpropylamino)-3-oxopropyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(CCC(=O)NCC(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-15(2)14-22-20(24)13-6-16-4-9-18(10-5-16)23-21(25)17-7-11-19(26-3)12-8-17/h4-5,7-12,15H,6,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyIKFMQOVAAQJDEB-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.65
Rot. Bonds8

About 4-methoxy-N-[4-[3-(2-methylpropylamino)-3-oxopropyl]phenyl]benzamide

4-methoxy-N-[4-[3-(2-methylpropylamino)-3-oxopropyl]phenyl]benzamide (PubChem CID 17359995) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-methoxy-N-[4-[3-(2-methylpropylamino)-3-oxopropyl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-[3-(2-methylpropylamino)-3-oxopropyl]phenyl]benzamide
PubChem CID17359995
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-methoxy-N-[4-[3-(2-methylpropylamino)-3-oxopropyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(CCC(=O)NCC(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-15(2)14-22-20(24)13-6-16-4-9-18(10-5-16)23-21(25)17-7-11-19(26-3)12-8-17/h4-5,7-12,15H,6,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyIKFMQOVAAQJDEB-UHFFFAOYSA-N
XLogP3.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]benzamide
CID 42139578
3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-4-propan-2-yloxybenzamide
CID 54780630
N-(2-hydroxy-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
CID 103770855
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide
CID 40592074
N-(2-chloro-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
CID 107157225
[4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate
CID 19221101
2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 732519
N-(2-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 7929170
2-[[3-(4-methoxyphenyl)propanoylamino]methyl]-4-methylpentanoic acid
CID 119253241
N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide
CID 66106188

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[3-(2-methylpropylamino)-3-oxopropyl]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-[3-(2-methylpropylamino)-3-oxopropyl]phenyl]benzamide (CID 17359995) is 4-methoxy-N-[4-[3-(2-methylpropylamino)-3-oxopropyl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-[3-(2-methylpropylamino)-3-oxopropyl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-[3-(2-methylpropylamino)-3-oxopropyl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(CCC(=O)NCC(C)C)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[4-[3-(2-methylpropylamino)-3-oxopropyl]phenyl]benzamide?
The InChIKey is IKFMQOVAAQJDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15(2)14-22-20(24)13-6-16-4-9-18(10-5-16)23-21(25)17-7-11-19(26-3)12-8-17/h4-5,7-12,15H,6,13-14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 4-methoxy-N-[4-[3-(2-methylpropylamino)-3-oxopropyl]phenyl]benzamide?
4-methoxy-N-[4-[3-(2-methylpropylamino)-3-oxopropyl]phenyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[3-(2-methylpropylamino)-3-oxopropyl]phenyl]benzamide is sourced from PubChem (CID 17359995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).