N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enyloctanamide

C24H35N3O3 — CID 5121435

IUPACN-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enyloctanamide
SMILESC=CCN(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)CCCCCCC
InChIInChI=1S/C24H35N3O3/c1-4-6-7-8-9-14-23(28)26(15-5-2)20-24(29)27(19-22-13-11-17-30-22)18-21-12-10-16-25(21)3/h5,10-13,16-17H,2,4,6-9,14-15,18-20H2,1,3H3
InChIKeyJPBLUWHGTPFFKC-UHFFFAOYSA-N
MW413.56 g/mol
LogP4.52
Rot. Bonds14

About N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enyloctanamide

N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enyloctanamide (PubChem CID 5121435) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enyloctanamide.

Molecular Properties

Compound NameN-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enyloctanamide
PubChem CID5121435
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC NameN-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enyloctanamide
SMILESC=CCN(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)CCCCCCC
InChIInChI=1S/C24H35N3O3/c1-4-6-7-8-9-14-23(28)26(15-5-2)20-24(29)27(19-22-13-11-17-30-22)18-21-12-10-16-25(21)3/h5,10-13,16-17H,2,4,6-9,14-15,18-20H2,1,3H3
InChIKeyJPBLUWHGTPFFKC-UHFFFAOYSA-N
XLogP4.52
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]nonanamide
CID 5106815
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-prop-2-enyltetradecanamide
CID 42664586
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylhexanamide
CID 42770766
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)carbamoyl-prop-2-enylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42768102
N-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide
CID 3620431
2-[(3-bromophenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3876308
N-(furan-2-ylmethyl)-4-hexyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 3936154
N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[prop-2-enyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 42768103
2-[(2,4-dichlorophenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3646630
N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide
CID 5038649
N-butyl-2-(4-fluorophenyl)-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]acetamide
CID 4018859
3-cyclopentyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylpropanamide
CID 4254520

Frequently Asked Questions

What is the IUPAC name of N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enyloctanamide?
The IUPAC name of N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enyloctanamide (CID 5121435) is N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enyloctanamide.
What is the SMILES notation for N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enyloctanamide?
The canonical SMILES for N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enyloctanamide is C=CCN(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)CCCCCCC.
What is the InChIKey of N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enyloctanamide?
The InChIKey is JPBLUWHGTPFFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-4-6-7-8-9-14-23(28)26(15-5-2)20-24(29)27(19-22-13-11-17-30-22)18-21-12-10-16-25(21)3/h5,10-13,16-17H,2,4,6-9,14-15,18-20H2,1,3H3.
What are the key properties of N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enyloctanamide?
N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enyloctanamide has a molecular weight of 413.56 g/mol, XLogP of 4.52, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enyloctanamide is sourced from PubChem (CID 5121435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).