N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide

C28H34N4O4 — CID 3426119

IUPACN-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(CCN1CCOCC1)CC(=O)N(Cc1cccn1Cc1ccccc1)C1CC1
InChIInChI=1S/C28H34N4O4/c33-27(22-31(28(34)26-9-5-17-36-26)14-13-29-15-18-35-19-16-29)32(24-10-11-24)21-25-8-4-12-30(25)20-23-6-2-1-3-7-23/h1-9,12,17,24H,10-11,13-16,18-22H2
InChIKeyNSTDXEKAWQGSRY-UHFFFAOYSA-N
MW490.60 g/mol
LogP3.10
Rot. Bonds11

About N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide

N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide (PubChem CID 3426119) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
PubChem CID3426119
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC NameN-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(CCN1CCOCC1)CC(=O)N(Cc1cccn1Cc1ccccc1)C1CC1
InChIInChI=1S/C28H34N4O4/c33-27(22-31(28(34)26-9-5-17-36-26)14-13-29-15-18-35-19-16-29)32(24-10-11-24)21-25-8-4-12-30(25)20-23-6-2-1-3-7-23/h1-9,12,17,24H,10-11,13-16,18-22H2
InChIKeyNSTDXEKAWQGSRY-UHFFFAOYSA-N
XLogP3.10
TPSA71.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexylamino]-2-oxoethyl]-N-(3-methoxypropyl)furan-2-carboxamide
CID 3362836
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)furan-2-carboxamide
CID 90607378
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropylfuran-2-carboxamide
CID 3414991
N-[2-[(1-benzylpyrrol-2-yl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 5169582
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-butylnaphthalene-1-carboxamide
CID 42665058
N-[2-[benzyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)furan-2-carboxamide
CID 42664420
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexylamino]-2-oxoethyl]-N-pentylbenzamide
CID 3961367
N-[(3-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 110670105
N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclohexyl-2-[ethylcarbamoyl(propyl)amino]acetamide
CID 4306791
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-(2-methoxyethyl)cyclohexanecarboxamide
CID 4044130
N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 810205
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]furan-2-carboxamide
CID 42759774

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The IUPAC name of N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide (CID 3426119) is N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide is O=C(c1ccco1)N(CCN1CCOCC1)CC(=O)N(Cc1cccn1Cc1ccccc1)C1CC1.
What is the InChIKey of N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The InChIKey is NSTDXEKAWQGSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c33-27(22-31(28(34)26-9-5-17-36-26)14-13-29-15-18-35-19-16-29)32(24-10-11-24)21-25-8-4-12-30(25)20-23-6-2-1-3-7-23/h1-9,12,17,24H,10-11,13-16,18-22H2.
What are the key properties of N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide has a molecular weight of 490.60 g/mol, XLogP of 3.10, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 3426119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).