aminomethanone;fermium;formic acid;methanamine;3-methylbutanal;N-[4-[(4-nitrophenoxy)methyl]phenyl]propanamide

C24H35FmN4O8- — CID 177177598

IUPACaminomethanone;fermium;formic acid;methanamine;3-methylbutanal;N-[4-[(4-nitrophenoxy)methyl]phenyl]propanamide
SMILESCC(C)CC=O.CCC(=O)Nc1ccc(COc2ccc([N+](=O)[O-])cc2)cc1.CN.N[C-]=O.O=CO.[Fm]
InChIInChI=1S/C16H16N2O4.C5H10O.CH2NO.CH5N.CH2O2.Fm/c1-2-16(19)17-13-5-3-12(4-6-13)11-22-15-9-7-14(8-10-15)18(20)21;1-5(2)3-4-6;2-1-3;1-2;2-1-3;/h3-10H,2,11H2,1H3,(H,17,19);4-5H,3H2,1-2H3;(H2,2,3);2H2,1H3;1H,(H,2,3);/q;;-1;;;
InChIKeyKEIDWLQBIWKDNM-UHFFFAOYSA-N
MW764.56 g/mol
LogP3.04
Rot. Bonds8

About aminomethanone;fermium;formic acid;methanamine;3-methylbutanal;N-[4-[(4-nitrophenoxy)methyl]phenyl]propanamide

aminomethanone;fermium;formic acid;methanamine;3-methylbutanal;N-[4-[(4-nitrophenoxy)methyl]phenyl]propanamide (PubChem CID 177177598) has the molecular formula C24H35FmN4O8- and a molecular weight of 764.56 g/mol. Its IUPAC name is aminomethanone;fermium;formic acid;methanamine;3-methylbutanal;N-[4-[(4-nitrophenoxy)methyl]phenyl]propanamide.

Molecular Properties

Compound Nameaminomethanone;fermium;formic acid;methanamine;3-methylbutanal;N-[4-[(4-nitrophenoxy)methyl]phenyl]propanamide
PubChem CID177177598
Molecular FormulaC24H35FmN4O8-
Molecular Weight764.56 g/mol
Exact Mass764.34
IUPAC Nameaminomethanone;fermium;formic acid;methanamine;3-methylbutanal;N-[4-[(4-nitrophenoxy)methyl]phenyl]propanamide
SMILESCC(C)CC=O.CCC(=O)Nc1ccc(COc2ccc([N+](=O)[O-])cc2)cc1.CN.N[C-]=O.O=CO.[Fm]
InChIInChI=1S/C16H16N2O4.C5H10O.CH2NO.CH5N.CH2O2.Fm/c1-2-16(19)17-13-5-3-12(4-6-13)11-22-15-9-7-14(8-10-15)18(20)21;1-5(2)3-4-6;2-1-3;1-2;2-1-3;/h3-10H,2,11H2,1H3,(H,17,19);4-5H,3H2,1-2H3;(H2,2,3);2H2,1H3;1H,(H,2,3);/q;;-1;;;
InChIKeyKEIDWLQBIWKDNM-UHFFFAOYSA-N
XLogP3.04
TPSA204.95 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500764.56
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide
CID 895335
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
N-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide
CID 1377182
N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 3114321
N-[4-[[4-(4-nitrophenyl)sulfanylphenyl]methoxy]phenyl]acetamide
CID 1262392
N-[4-[(4-nitrophenyl)methoxy]phenyl]formamide
CID 134324420
1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea
CID 2956271
N-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
CID 9395370
4-[(4-nitrophenyl)methoxy]benzamide
CID 7893395
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
(2S)-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide
CID 23625206
2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 1295054

Frequently Asked Questions

What is the IUPAC name of aminomethanone;fermium;formic acid;methanamine;3-methylbutanal;N-[4-[(4-nitrophenoxy)methyl]phenyl]propanamide?
The IUPAC name of aminomethanone;fermium;formic acid;methanamine;3-methylbutanal;N-[4-[(4-nitrophenoxy)methyl]phenyl]propanamide (CID 177177598) is aminomethanone;fermium;formic acid;methanamine;3-methylbutanal;N-[4-[(4-nitrophenoxy)methyl]phenyl]propanamide.
What is the SMILES notation for aminomethanone;fermium;formic acid;methanamine;3-methylbutanal;N-[4-[(4-nitrophenoxy)methyl]phenyl]propanamide?
The canonical SMILES for aminomethanone;fermium;formic acid;methanamine;3-methylbutanal;N-[4-[(4-nitrophenoxy)methyl]phenyl]propanamide is CC(C)CC=O.CCC(=O)Nc1ccc(COc2ccc([N+](=O)[O-])cc2)cc1.CN.N[C-]=O.O=CO.[Fm].
What is the InChIKey of aminomethanone;fermium;formic acid;methanamine;3-methylbutanal;N-[4-[(4-nitrophenoxy)methyl]phenyl]propanamide?
The InChIKey is KEIDWLQBIWKDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4.C5H10O.CH2NO.CH5N.CH2O2.Fm/c1-2-16(19)17-13-5-3-12(4-6-13)11-22-15-9-7-14(8-10-15)18(20)21;1-5(2)3-4-6;2-1-3;1-2;2-1-3;/h3-10H,2,11H2,1H3,(H,17,19);4-5H,3H2,1-2H3;(H2,2,3);2H2,1H3;1H,(H,2,3);/q;;-1;;;.
What are the key properties of aminomethanone;fermium;formic acid;methanamine;3-methylbutanal;N-[4-[(4-nitrophenoxy)methyl]phenyl]propanamide?
aminomethanone;fermium;formic acid;methanamine;3-methylbutanal;N-[4-[(4-nitrophenoxy)methyl]phenyl]propanamide has a molecular weight of 764.56 g/mol, XLogP of 3.04, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethanone;fermium;formic acid;methanamine;3-methylbutanal;N-[4-[(4-nitrophenoxy)methyl]phenyl]propanamide is sourced from PubChem (CID 177177598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).