3-(4-methoxyphenyl)-N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]propanamide

C23H29N3O3 — CID 60562474

IUPAC3-(4-methoxyphenyl)-N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCCN(C)CC2)cc1
InChIInChI=1S/C23H29N3O3/c1-25-14-5-15-26(17-16-25)23(28)20-6-3-4-7-21(20)24-22(27)13-10-18-8-11-19(29-2)12-9-18/h3-4,6-9,11-12H,5,10,13-17H2,1-2H3,(H,24,27)
InChIKeyQOSCUBDQJKAZLV-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.04
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]propanamide

3-(4-methoxyphenyl)-N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]propanamide (PubChem CID 60562474) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]propanamide
PubChem CID60562474
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name3-(4-methoxyphenyl)-N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCCN(C)CC2)cc1
InChIInChI=1S/C23H29N3O3/c1-25-14-5-15-26(17-16-25)23(28)20-6-3-4-7-21(20)24-22(27)13-10-18-8-11-19(29-2)12-9-18/h3-4,6-9,11-12H,5,10,13-17H2,1-2H3,(H,24,27)
InChIKeyQOSCUBDQJKAZLV-UHFFFAOYSA-N
XLogP3.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 54795309
3-(3-methoxyphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 35279052
3-(4-ethylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 41467944
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 4937998
2-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 54795789
3-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide
CID 17148804
2-methoxyethyl 4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butanoate
CID 17339118
2-[3-(4-methoxyphenyl)propanoylamino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781754
(2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 27042248
(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467901
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 46675286
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 31438555

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]propanamide (CID 60562474) is 3-(4-methoxyphenyl)-N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]propanamide is COc1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCCN(C)CC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]propanamide?
The InChIKey is QOSCUBDQJKAZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-25-14-5-15-26(17-16-25)23(28)20-6-3-4-7-21(20)24-22(27)13-10-18-8-11-19(29-2)12-9-18/h3-4,6-9,11-12H,5,10,13-17H2,1-2H3,(H,24,27).
What are the key properties of 3-(4-methoxyphenyl)-N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]propanamide?
3-(4-methoxyphenyl)-N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]propanamide has a molecular weight of 395.50 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 60562474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).