N-[1-[ethyl-[(3-nitrophenyl)methyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

C17H19N3O5 — CID 51087049

IUPACN-[1-[ethyl-[(3-nitrophenyl)methyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)NC(=O)c1ccoc1
InChIInChI=1S/C17H19N3O5/c1-3-19(10-13-5-4-6-15(9-13)20(23)24)17(22)12(2)18-16(21)14-7-8-25-11-14/h4-9,11-12H,3,10H2,1-2H3,(H,18,21)
InChIKeyKRANONXFPXVNNW-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.35
Rot. Bonds7

About N-[1-[ethyl-[(3-nitrophenyl)methyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[1-[ethyl-[(3-nitrophenyl)methyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 51087049) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[1-[ethyl-[(3-nitrophenyl)methyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[ethyl-[(3-nitrophenyl)methyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID51087049
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC NameN-[1-[ethyl-[(3-nitrophenyl)methyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)NC(=O)c1ccoc1
InChIInChI=1S/C17H19N3O5/c1-3-19(10-13-5-4-6-15(9-13)20(23)24)17(22)12(2)18-16(21)14-7-8-25-11-14/h4-9,11-12H,3,10H2,1-2H3,(H,18,21)
InChIKeyKRANONXFPXVNNW-UHFFFAOYSA-N
XLogP2.35
TPSA105.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 47051546
N-[1-[(5-chlorothiophen-2-yl)methyl-ethylamino]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 51177345
N-[1-[butyl(ethyl)amino]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 51166057
N-[1-[methyl-[(3-nitrophenyl)methyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47027180
N-[(2R)-1-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 95246746
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-nitrobenzamide
CID 51162924
N-[1-[(4-methoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 51155108
2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 54875128
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]furan-3-carboxamide
CID 43068696
N-[1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 51185313
N,N-diethyl-4-[(3-nitrophenyl)methyl]benzamide
CID 142891853
2-methoxy-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 112685838

Frequently Asked Questions

What is the IUPAC name of N-[1-[ethyl-[(3-nitrophenyl)methyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[ethyl-[(3-nitrophenyl)methyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 51087049) is N-[1-[ethyl-[(3-nitrophenyl)methyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[ethyl-[(3-nitrophenyl)methyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[ethyl-[(3-nitrophenyl)methyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)NC(=O)c1ccoc1.
What is the InChIKey of N-[1-[ethyl-[(3-nitrophenyl)methyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is KRANONXFPXVNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-3-19(10-13-5-4-6-15(9-13)20(23)24)17(22)12(2)18-16(21)14-7-8-25-11-14/h4-9,11-12H,3,10H2,1-2H3,(H,18,21).
What are the key properties of N-[1-[ethyl-[(3-nitrophenyl)methyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[1-[ethyl-[(3-nitrophenyl)methyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[ethyl-[(3-nitrophenyl)methyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 51087049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).