N-(cyclohexylmethyl)-2-[2-nitro-5-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

C19H25N3O5 — CID 17434971

IUPACN-(cyclohexylmethyl)-2-[2-nitro-5-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESO=C(COc1cc(N2CCCC2=O)ccc1[N+](=O)[O-])NCC1CCCCC1
InChIInChI=1S/C19H25N3O5/c23-18(20-12-14-5-2-1-3-6-14)13-27-17-11-15(8-9-16(17)22(25)26)21-10-4-7-19(21)24/h8-9,11,14H,1-7,10,12-13H2,(H,20,23)
InChIKeyBUOAANQFMLBGTA-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.80
Rot. Bonds7

About N-(cyclohexylmethyl)-2-[2-nitro-5-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

N-(cyclohexylmethyl)-2-[2-nitro-5-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (PubChem CID 17434971) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[2-nitro-5-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[2-nitro-5-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
PubChem CID17434971
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC NameN-(cyclohexylmethyl)-2-[2-nitro-5-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESO=C(COc1cc(N2CCCC2=O)ccc1[N+](=O)[O-])NCC1CCCCC1
InChIInChI=1S/C19H25N3O5/c23-18(20-12-14-5-2-1-3-6-14)13-27-17-11-15(8-9-16(17)22(25)26)21-10-4-7-19(21)24/h8-9,11,14H,1-7,10,12-13H2,(H,20,23)
InChIKeyBUOAANQFMLBGTA-UHFFFAOYSA-N
XLogP2.80
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.80
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

1-(3-methoxy-4-nitrophenyl)pyrrolidin-2-one
CID 166609008
2-[5-(aminomethyl)-2-nitrophenoxy]-N-(cyclopropylmethyl)acetamide
CID 62116209
2-(3-chloro-4-nitrophenoxy)-N-(cyclopropylmethyl)acetamide
CID 47443106
N-cyclooctyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18106196
N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18127078
2-(3-methyl-4-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41458994
2-(2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 25162858
1-[4-[2-(4-methoxy-2-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one
CID 8880766
N-[(3-hydroxycyclohexyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 111460220
2-(2-aminophenoxy)-N-(cyclohexylmethyl)acetamide
CID 43371365
1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 166609128
N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 39004011

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[2-nitro-5-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[2-nitro-5-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (CID 17434971) is N-(cyclohexylmethyl)-2-[2-nitro-5-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[2-nitro-5-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[2-nitro-5-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is O=C(COc1cc(N2CCCC2=O)ccc1[N+](=O)[O-])NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[2-nitro-5-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The InChIKey is BUOAANQFMLBGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c23-18(20-12-14-5-2-1-3-6-14)13-27-17-11-15(8-9-16(17)22(25)26)21-10-4-7-19(21)24/h8-9,11,14H,1-7,10,12-13H2,(H,20,23).
What are the key properties of N-(cyclohexylmethyl)-2-[2-nitro-5-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
N-(cyclohexylmethyl)-2-[2-nitro-5-(2-oxopyrrolidin-1-yl)phenoxy]acetamide has a molecular weight of 375.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[2-nitro-5-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is sourced from PubChem (CID 17434971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).