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

C18H21BrN2O3 — CID 55716370

IUPACN-[3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESCC(C)(CNC(=O)CCNC(=O)c1ccco1)c1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2O3/c1-18(2,13-5-7-14(19)8-6-13)12-21-16(22)9-10-20-17(23)15-4-3-11-24-15/h3-8,11H,9-10,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeySKDFLUSCHZUCJV-UHFFFAOYSA-N
MW393.28 g/mol
LogP3.26
Rot. Bonds7

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

N-[3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 55716370) has the molecular formula C18H21BrN2O3 and a molecular weight of 393.28 g/mol. Its IUPAC name is N-[3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID55716370
Molecular FormulaC18H21BrN2O3
Molecular Weight393.28 g/mol
Exact Mass392.07
IUPAC NameN-[3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESCC(C)(CNC(=O)CCNC(=O)c1ccco1)c1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2O3/c1-18(2,13-5-7-14(19)8-6-13)12-21-16(22)9-10-20-17(23)15-4-3-11-24-15/h3-8,11H,9-10,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeySKDFLUSCHZUCJV-UHFFFAOYSA-N
XLogP3.26
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(furan-2-carbonylamino)propanoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002517
N-[4-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 51103819
N-[2-(4-bromophenyl)-2-methylpropyl]-3-sulfanylpropanamide
CID 115168128
N-[2-(4-bromophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111166669
4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9477234
3-[4-(furan-2-carbonylamino)butanoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172562
N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide
CID 115612648
N-[3-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 64555440
N-[2-(5-bromo-2-methylphenyl)ethyl]furan-2-carboxamide
CID 110792461
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 110443382
N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 111460641

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide (CID 55716370) is N-[3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide is CC(C)(CNC(=O)CCNC(=O)c1ccco1)c1ccc(Br)cc1.
What is the InChIKey of N-[3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is SKDFLUSCHZUCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3/c1-18(2,13-5-7-14(19)8-6-13)12-21-16(22)9-10-20-17(23)15-4-3-11-24-15/h3-8,11H,9-10,12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 393.28 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 55716370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).