N-(3-aminopropyl)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclopropanecarboxamide

C22H27N3O3 — CID 23824676

IUPACN-(3-aminopropyl)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclopropanecarboxamide
SMILESNCCCN(Cc1cccc(NC(=O)COc2ccccc2)c1)C(=O)C1CC1
InChIInChI=1S/C22H27N3O3/c23-12-5-13-25(22(27)18-10-11-18)15-17-6-4-7-19(14-17)24-21(26)16-28-20-8-2-1-3-9-20/h1-4,6-9,14,18H,5,10-13,15-16,23H2,(H,24,26)
InChIKeyFJBCRLNKOFZOTC-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.79
Rot. Bonds10

About N-(3-aminopropyl)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclopropanecarboxamide

N-(3-aminopropyl)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclopropanecarboxamide (PubChem CID 23824676) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclopropanecarboxamide
PubChem CID23824676
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-(3-aminopropyl)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclopropanecarboxamide
SMILESNCCCN(Cc1cccc(NC(=O)COc2ccccc2)c1)C(=O)C1CC1
InChIInChI=1S/C22H27N3O3/c23-12-5-13-25(22(27)18-10-11-18)15-17-6-4-7-19(14-17)24-21(26)16-28-20-8-2-1-3-9-20/h1-4,6-9,14,18H,5,10-13,15-16,23H2,(H,24,26)
InChIKeyFJBCRLNKOFZOTC-UHFFFAOYSA-N
XLogP2.79
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]cyclopropanecarboxamide
CID 23931480
N-[(3-acetamidophenyl)methyl]-N-(3-aminopropyl)cyclohexanecarboxamide
CID 23850194
N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-3-chlorobenzamide
CID 23855130
N-[3-(aminomethyl)phenyl]-2-phenoxyacetamide
CID 16781265
N-(3-aminopropyl)-N-benzyloxane-4-carboxamide
CID 107366082
N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride
CID 120649017
N-(3-aminopropyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,4-dimethoxybenzamide
CID 23763521
N-(3-aminopropyl)-N-benzylcyclohex-3-ene-1-carboxamide
CID 107365878
N-benzyl-N-methyl-3-[(2-phenoxyacetyl)amino]benzamide
CID 26162773
N-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide
CID 54794430
3-[(2-phenoxyacetyl)amino]benzamide
CID 910367
N-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide
CID 16784462

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-(3-aminopropyl)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclopropanecarboxamide (CID 23824676) is N-(3-aminopropyl)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclopropanecarboxamide is NCCCN(Cc1cccc(NC(=O)COc2ccccc2)c1)C(=O)C1CC1.
What is the InChIKey of N-(3-aminopropyl)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclopropanecarboxamide?
The InChIKey is FJBCRLNKOFZOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c23-12-5-13-25(22(27)18-10-11-18)15-17-6-4-7-19(14-17)24-21(26)16-28-20-8-2-1-3-9-20/h1-4,6-9,14,18H,5,10-13,15-16,23H2,(H,24,26).
What are the key properties of N-(3-aminopropyl)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclopropanecarboxamide?
N-(3-aminopropyl)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclopropanecarboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.79, 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-phenoxyacetyl)amino]phenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 23824676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).