N-(furan-2-ylmethyl)-2-[(4-methylphenyl)carbamoyl-prop-2-enylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C24H28N4O3 — CID 42768102

IUPACN-(furan-2-ylmethyl)-2-[(4-methylphenyl)carbamoyl-prop-2-enylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESC=CCN(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H28N4O3/c1-4-13-27(24(30)25-20-11-9-19(2)10-12-20)18-23(29)28(17-22-8-6-15-31-22)16-21-7-5-14-26(21)3/h4-12,14-15H,1,13,16-18H2,2-3H3,(H,25,30)
InChIKeyNQIFBPFHRBRJOS-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.18
Rot. Bonds9

About N-(furan-2-ylmethyl)-2-[(4-methylphenyl)carbamoyl-prop-2-enylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

N-(furan-2-ylmethyl)-2-[(4-methylphenyl)carbamoyl-prop-2-enylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 42768102) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(4-methylphenyl)carbamoyl-prop-2-enylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(4-methylphenyl)carbamoyl-prop-2-enylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID42768102
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-(furan-2-ylmethyl)-2-[(4-methylphenyl)carbamoyl-prop-2-enylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESC=CCN(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H28N4O3/c1-4-13-27(24(30)25-20-11-9-19(2)10-12-20)18-23(29)28(17-22-8-6-15-31-22)16-21-7-5-14-26(21)3/h4-12,14-15H,1,13,16-18H2,2-3H3,(H,25,30)
InChIKeyNQIFBPFHRBRJOS-UHFFFAOYSA-N
XLogP4.18
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-bromophenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3876308
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-prop-2-enyloctanamide
CID 5121435
2-[(4-bromophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4029795
2-[butyl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4272707
N-benzyl-2-[(4-ethoxyphenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)acetamide
CID 3928097
N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(3-methylphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3981967
N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-prop-2-enylamino]acetamide
CID 3932373
ethyl 4-[[[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-(3-methoxypropyl)carbamoyl]amino]benzoate
CID 5037094
2-[[(2R)-butan-2-yl]-(phenylcarbamoyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 7225456
2-[(4-bromophenyl)carbamoyl-prop-2-enylamino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3270179

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(4-methylphenyl)carbamoyl-prop-2-enylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(4-methylphenyl)carbamoyl-prop-2-enylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 42768102) is N-(furan-2-ylmethyl)-2-[(4-methylphenyl)carbamoyl-prop-2-enylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(4-methylphenyl)carbamoyl-prop-2-enylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(4-methylphenyl)carbamoyl-prop-2-enylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is C=CCN(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(4-methylphenyl)carbamoyl-prop-2-enylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is NQIFBPFHRBRJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-4-13-27(24(30)25-20-11-9-19(2)10-12-20)18-23(29)28(17-22-8-6-15-31-22)16-21-7-5-14-26(21)3/h4-12,14-15H,1,13,16-18H2,2-3H3,(H,25,30).
What are the key properties of N-(furan-2-ylmethyl)-2-[(4-methylphenyl)carbamoyl-prop-2-enylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)carbamoyl-prop-2-enylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 420.51 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(4-methylphenyl)carbamoyl-prop-2-enylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 42768102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).