N-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide

C20H26N2O3 — CID 43031477

IUPACN-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESCCc1ccc(C(NC(=O)CCNC(=O)c2ccco2)C(C)C)cc1
InChIInChI=1S/C20H26N2O3/c1-4-15-7-9-16(10-8-15)19(14(2)3)22-18(23)11-12-21-20(24)17-6-5-13-25-17/h5-10,13-14,19H,4,11-12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyPNEABSQRVJHDCT-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.48
Rot. Bonds8

About N-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide

N-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 43031477) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID43031477
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESCCc1ccc(C(NC(=O)CCNC(=O)c2ccco2)C(C)C)cc1
InChIInChI=1S/C20H26N2O3/c1-4-15-7-9-16(10-8-15)19(14(2)3)22-18(23)11-12-21-20(24)17-6-5-13-25-17/h5-10,13-14,19H,4,11-12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyPNEABSQRVJHDCT-UHFFFAOYSA-N
XLogP3.48
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 46532972
N-[1-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 78810785
3-[3-(furan-2-carbonylamino)propanoylamino]butanoic acid
CID 43172663
N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 55437912
N-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 25479336
N-[2-[(4-ethylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 134052250
2-[3-(furan-2-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 43092601
N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 111460641
N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide
CID 115612648
N-[3-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 110004386
2-[4-(furan-2-carbonylamino)butanoylamino]-3-methylbutanoic acid
CID 43353978
methyl 3-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-methylphenyl)propanoate
CID 55440381

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide (CID 43031477) is N-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide is CCc1ccc(C(NC(=O)CCNC(=O)c2ccco2)C(C)C)cc1.
What is the InChIKey of N-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is PNEABSQRVJHDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-15-7-9-16(10-8-15)19(14(2)3)22-18(23)11-12-21-20(24)17-6-5-13-25-17/h5-10,13-14,19H,4,11-12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 43031477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).