N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]amino]methyl]benzamide

C28H33N3O4 — CID 34216561

IUPACN-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]amino]methyl]benzamide
SMILESO=C(CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1)NCCCOCc1ccccc1
InChIInChI=1S/C28H33N3O4/c32-27(29-15-5-16-34-21-23-6-2-1-3-7-23)20-31(19-26-8-4-17-35-26)18-22-9-11-24(12-10-22)28(33)30-25-13-14-25/h1-4,6-12,17,25H,5,13-16,18-21H2,(H,29,32)(H,30,33)
InChIKeyDFUHEZSFWXJKHJ-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.90
Rot. Bonds14

About N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]amino]methyl]benzamide

N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]amino]methyl]benzamide (PubChem CID 34216561) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]amino]methyl]benzamide
PubChem CID34216561
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC NameN-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]amino]methyl]benzamide
SMILESO=C(CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1)NCCCOCc1ccccc1
InChIInChI=1S/C28H33N3O4/c32-27(29-15-5-16-34-21-23-6-2-1-3-7-23)20-31(19-26-8-4-17-35-26)18-22-9-11-24(12-10-22)28(33)30-25-13-14-25/h1-4,6-12,17,25H,5,13-16,18-21H2,(H,29,32)(H,30,33)
InChIKeyDFUHEZSFWXJKHJ-UHFFFAOYSA-N
XLogP3.90
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide
CID 30798285
4-[[(2-amino-2-oxoethyl)-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943139
2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(3-phenylmethoxypropyl)acetamide
CID 24574934
4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943710
N-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 34944479
N-cyclopropyl-4-[[[2-(2-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30798223
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]methyl]benzamide
CID 55591604
2-[[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide
CID 34943884
N-cyclopropyl-4-[[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 34216209
N-cyclopropyl-4-[[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30891357
4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34215979
ethyl 4-[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]piperazine-1-carboxylate
CID 34215828

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]amino]methyl]benzamide (CID 34216561) is N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]amino]methyl]benzamide is O=C(CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1)NCCCOCc1ccccc1.
What is the InChIKey of N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]amino]methyl]benzamide?
The InChIKey is DFUHEZSFWXJKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c32-27(29-15-5-16-34-21-23-6-2-1-3-7-23)20-31(19-26-8-4-17-35-26)18-22-9-11-24(12-10-22)28(33)30-25-13-14-25/h1-4,6-12,17,25H,5,13-16,18-21H2,(H,29,32)(H,30,33).
What are the key properties of N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]amino]methyl]benzamide has a molecular weight of 475.59 g/mol, XLogP of 3.90, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]amino]methyl]benzamide is sourced from PubChem (CID 34216561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).