N-(furan-2-ylmethyl)-3-[(2-methylphenyl)carbamoyl-(1-phenylethyl)amino]propanamide

C24H27N3O3 — CID 42703658

IUPACN-(furan-2-ylmethyl)-3-[(2-methylphenyl)carbamoyl-(1-phenylethyl)amino]propanamide
SMILESCc1ccccc1NC(=O)N(CCC(=O)NCc1ccco1)C(C)c1ccccc1
InChIInChI=1S/C24H27N3O3/c1-18-9-6-7-13-22(18)26-24(29)27(19(2)20-10-4-3-5-11-20)15-14-23(28)25-17-21-12-8-16-30-21/h3-13,16,19H,14-15,17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyPNSAAVOAZZCTCQ-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.89
Rot. Bonds8

About N-(furan-2-ylmethyl)-3-[(2-methylphenyl)carbamoyl-(1-phenylethyl)amino]propanamide

N-(furan-2-ylmethyl)-3-[(2-methylphenyl)carbamoyl-(1-phenylethyl)amino]propanamide (PubChem CID 42703658) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[(2-methylphenyl)carbamoyl-(1-phenylethyl)amino]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[(2-methylphenyl)carbamoyl-(1-phenylethyl)amino]propanamide
PubChem CID42703658
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-(furan-2-ylmethyl)-3-[(2-methylphenyl)carbamoyl-(1-phenylethyl)amino]propanamide
SMILESCc1ccccc1NC(=O)N(CCC(=O)NCc1ccco1)C(C)c1ccccc1
InChIInChI=1S/C24H27N3O3/c1-18-9-6-7-13-22(18)26-24(29)27(19(2)20-10-4-3-5-11-20)15-14-23(28)25-17-21-12-8-16-30-21/h3-13,16,19H,14-15,17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyPNSAAVOAZZCTCQ-UHFFFAOYSA-N
XLogP4.89
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
CID 113139093
3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea
CID 51729179
3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113118985
1-(furan-2-ylmethyl)-3-(2-methylphenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea
CID 135779833
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
N-(2-methylphenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
CID 113139129
(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide
CID 40538690
3-[acetyl(3-phenylpropyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 113122215
[2-(2,3-dimethylanilino)-2-oxoethyl]-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium
CID 9287855
3-[(2-bromophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide
CID 42699907
N-(furan-2-ylmethyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 53288249
N-(2,5-dimethylphenyl)-2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]propanamide
CID 42897193

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[(2-methylphenyl)carbamoyl-(1-phenylethyl)amino]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[(2-methylphenyl)carbamoyl-(1-phenylethyl)amino]propanamide (CID 42703658) is N-(furan-2-ylmethyl)-3-[(2-methylphenyl)carbamoyl-(1-phenylethyl)amino]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[(2-methylphenyl)carbamoyl-(1-phenylethyl)amino]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[(2-methylphenyl)carbamoyl-(1-phenylethyl)amino]propanamide is Cc1ccccc1NC(=O)N(CCC(=O)NCc1ccco1)C(C)c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[(2-methylphenyl)carbamoyl-(1-phenylethyl)amino]propanamide?
The InChIKey is PNSAAVOAZZCTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-18-9-6-7-13-22(18)26-24(29)27(19(2)20-10-4-3-5-11-20)15-14-23(28)25-17-21-12-8-16-30-21/h3-13,16,19H,14-15,17H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-(furan-2-ylmethyl)-3-[(2-methylphenyl)carbamoyl-(1-phenylethyl)amino]propanamide?
N-(furan-2-ylmethyl)-3-[(2-methylphenyl)carbamoyl-(1-phenylethyl)amino]propanamide has a molecular weight of 405.50 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[(2-methylphenyl)carbamoyl-(1-phenylethyl)amino]propanamide is sourced from PubChem (CID 42703658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).