N-(3-aminopropyl)-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]cyclopropanecarboxamide

C23H29N3O3 — CID 23931480

IUPACN-(3-aminopropyl)-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]cyclopropanecarboxamide
SMILESCOc1ccc(CC(=O)Nc2cccc(CN(CCCN)C(=O)C3CC3)c2)cc1
InChIInChI=1S/C23H29N3O3/c1-29-21-10-6-17(7-11-21)15-22(27)25-20-5-2-4-18(14-20)16-26(13-3-12-24)23(28)19-8-9-19/h2,4-7,10-11,14,19H,3,8-9,12-13,15-16,24H2,1H3,(H,25,27)
InChIKeyANWCEWOEEJGFRW-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.96
Rot. Bonds10

About N-(3-aminopropyl)-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]cyclopropanecarboxamide

N-(3-aminopropyl)-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]cyclopropanecarboxamide (PubChem CID 23931480) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]cyclopropanecarboxamide
PubChem CID23931480
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-(3-aminopropyl)-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]cyclopropanecarboxamide
SMILESCOc1ccc(CC(=O)Nc2cccc(CN(CCCN)C(=O)C3CC3)c2)cc1
InChIInChI=1S/C23H29N3O3/c1-29-21-10-6-17(7-11-21)15-22(27)25-20-5-2-4-18(14-20)16-26(13-3-12-24)23(28)19-8-9-19/h2,4-7,10-11,14,19H,3,8-9,12-13,15-16,24H2,1H3,(H,25,27)
InChIKeyANWCEWOEEJGFRW-UHFFFAOYSA-N
XLogP2.96
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclopropanecarboxamide
CID 23824676
N-[(3-acetamidophenyl)methyl]-N-(3-aminopropyl)cyclohexanecarboxamide
CID 23850194
N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-3-chlorobenzamide
CID 23855130
N-(3-aminopropyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,4-dimethoxybenzamide
CID 23763521
N-(3-amino-2,2-dimethylpropyl)-3,4-dimethoxy-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]benzamide
CID 23796583
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide
CID 38811561
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea
CID 61309564
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17296413
2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 5077969
N-(3-formylphenyl)-2-(4-methoxyphenyl)acetamide
CID 106912590
2-(4-methoxyphenyl)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154686

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-(3-aminopropyl)-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]cyclopropanecarboxamide (CID 23931480) is N-(3-aminopropyl)-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]cyclopropanecarboxamide is COc1ccc(CC(=O)Nc2cccc(CN(CCCN)C(=O)C3CC3)c2)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]cyclopropanecarboxamide?
The InChIKey is ANWCEWOEEJGFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-29-21-10-6-17(7-11-21)15-22(27)25-20-5-2-4-18(14-20)16-26(13-3-12-24)23(28)19-8-9-19/h2,4-7,10-11,14,19H,3,8-9,12-13,15-16,24H2,1H3,(H,25,27).
What are the key properties of N-(3-aminopropyl)-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]cyclopropanecarboxamide?
N-(3-aminopropyl)-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]cyclopropanecarboxamide has a molecular weight of 395.50 g/mol, XLogP of 2.96, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 23931480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).