N-[3-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-3-oxopropyl]furan-3-carboxamide

C21H28N2O3 — CID 46438456

IUPACN-[3-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-3-oxopropyl]furan-3-carboxamide
SMILESCC(C)c1ccc(C(NC(=O)CCNC(=O)c2ccoc2)C(C)C)cc1
InChIInChI=1S/C21H28N2O3/c1-14(2)16-5-7-17(8-6-16)20(15(3)4)23-19(24)9-11-22-21(25)18-10-12-26-13-18/h5-8,10,12-15,20H,9,11H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyDSBJNAGPPRDVFU-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.04
Rot. Bonds8

About N-[3-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-3-oxopropyl]furan-3-carboxamide

N-[3-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-3-oxopropyl]furan-3-carboxamide (PubChem CID 46438456) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[3-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-3-oxopropyl]furan-3-carboxamide
PubChem CID46438456
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[3-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-3-oxopropyl]furan-3-carboxamide
SMILESCC(C)c1ccc(C(NC(=O)CCNC(=O)c2ccoc2)C(C)C)cc1
InChIInChI=1S/C21H28N2O3/c1-14(2)16-5-7-17(8-6-16)20(15(3)4)23-19(24)9-11-22-21(25)18-10-12-26-13-18/h5-8,10,12-15,20H,9,11H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyDSBJNAGPPRDVFU-UHFFFAOYSA-N
XLogP4.04
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-3-oxopropyl]furan-3-carboxamide with MolForge

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Related Compounds

(2S)-2-[3-(furan-3-carbonylamino)propanoylamino]-3-methylbutanoic acid
CID 61136349
N-[3-oxo-3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propyl]furan-3-carboxamide
CID 46431327
N-[3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-oxopropyl]furan-3-carboxamide
CID 106353047
(2S)-2-[3-(furan-3-carbonylamino)propanoylamino]-4-hydroxybutanoic acid
CID 107822062
2-[3-(furan-3-carbonylamino)propanoylamino]-4-hydroxybutanoic acid
CID 61243124
N-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide
CID 43427988
N-(3-bromobutyl)furan-3-carboxamide
CID 114312390
4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride
CID 119272369
N-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 43031477
4-chloro-N-[3-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]amino]-3-oxopropyl]benzamide
CID 16563744
ethyl N-[1-[3-(furan-3-carbonylamino)propanoylamino]-4-methylpentan-2-yl]carbamate
CID 46432538
N-[3-[2-(2-hydroxyethyl)pentylamino]-3-oxopropyl]furan-3-carboxamide
CID 103725537

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-[3-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-3-oxopropyl]furan-3-carboxamide (CID 46438456) is N-[3-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-[3-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-3-oxopropyl]furan-3-carboxamide is CC(C)c1ccc(C(NC(=O)CCNC(=O)c2ccoc2)C(C)C)cc1.
What is the InChIKey of N-[3-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-3-oxopropyl]furan-3-carboxamide?
The InChIKey is DSBJNAGPPRDVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-14(2)16-5-7-17(8-6-16)20(15(3)4)23-19(24)9-11-22-21(25)18-10-12-26-13-18/h5-8,10,12-15,20H,9,11H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-3-oxopropyl]furan-3-carboxamide?
N-[3-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-3-oxopropyl]furan-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 46438456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).