1-amino-N-[3-nitro-4-(3-oxomorpholin-4-yl)phenyl]cyclopentane-1-carboxamide

C16H20N4O5 — CID 87847825

IUPAC1-amino-N-[3-nitro-4-(3-oxomorpholin-4-yl)phenyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(N3CCOCC3=O)c([N+](=O)[O-])c2)CCCC1
InChIInChI=1S/C16H20N4O5/c17-16(5-1-2-6-16)15(22)18-11-3-4-12(13(9-11)20(23)24)19-7-8-25-10-14(19)21/h3-4,9H,1-2,5-8,10,17H2,(H,18,22)
InChIKeyIZXWZJQRDDHZKV-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.17
Rot. Bonds4

About 1-amino-N-[3-nitro-4-(3-oxomorpholin-4-yl)phenyl]cyclopentane-1-carboxamide

1-amino-N-[3-nitro-4-(3-oxomorpholin-4-yl)phenyl]cyclopentane-1-carboxamide (PubChem CID 87847825) has the molecular formula C16H20N4O5 and a molecular weight of 348.36 g/mol. Its IUPAC name is 1-amino-N-[3-nitro-4-(3-oxomorpholin-4-yl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-nitro-4-(3-oxomorpholin-4-yl)phenyl]cyclopentane-1-carboxamide
PubChem CID87847825
Molecular FormulaC16H20N4O5
Molecular Weight348.36 g/mol
Exact Mass348.14
IUPAC Name1-amino-N-[3-nitro-4-(3-oxomorpholin-4-yl)phenyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(N3CCOCC3=O)c([N+](=O)[O-])c2)CCCC1
InChIInChI=1S/C16H20N4O5/c17-16(5-1-2-6-16)15(22)18-11-3-4-12(13(9-11)20(23)24)19-7-8-25-10-14(19)21/h3-4,9H,1-2,5-8,10,17H2,(H,18,22)
InChIKeyIZXWZJQRDDHZKV-UHFFFAOYSA-N
XLogP1.17
TPSA127.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-amino-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]cyclohexane-1-carboxamide
CID 69053661
1-amino-N-(4-chloro-3-nitrophenyl)cyclobutane-1-carboxamide
CID 81178722
4-amino-N-(4-ethyl-3-nitrophenyl)oxane-4-carboxamide
CID 115294049
1-amino-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxamide
CID 60852641
1-amino-N-(4-methoxy-3-nitrophenyl)cyclopropane-1-carboxamide
CID 113385263
3-amino-N-(4-ethyl-3-nitrophenyl)oxolane-3-carboxamide
CID 64893968
1-amino-N-(4-nitrophenyl)cyclobutane-1-carboxamide
CID 81179172
1-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 119265809
4-(3-amino-4-nitrophenyl)morpholin-3-one
CID 66869728
4-(2-bromo-4-nitrophenyl)morpholin-3-one
CID 165482133
4-(2-chloro-4-nitrophenyl)morpholin-3-one
CID 69051891
tert-butyl 2-amino-1-[[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 69054934

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-nitro-4-(3-oxomorpholin-4-yl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-nitro-4-(3-oxomorpholin-4-yl)phenyl]cyclopentane-1-carboxamide (CID 87847825) is 1-amino-N-[3-nitro-4-(3-oxomorpholin-4-yl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-nitro-4-(3-oxomorpholin-4-yl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-nitro-4-(3-oxomorpholin-4-yl)phenyl]cyclopentane-1-carboxamide is NC1(C(=O)Nc2ccc(N3CCOCC3=O)c([N+](=O)[O-])c2)CCCC1.
What is the InChIKey of 1-amino-N-[3-nitro-4-(3-oxomorpholin-4-yl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is IZXWZJQRDDHZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5/c17-16(5-1-2-6-16)15(22)18-11-3-4-12(13(9-11)20(23)24)19-7-8-25-10-14(19)21/h3-4,9H,1-2,5-8,10,17H2,(H,18,22).
What are the key properties of 1-amino-N-[3-nitro-4-(3-oxomorpholin-4-yl)phenyl]cyclopentane-1-carboxamide?
1-amino-N-[3-nitro-4-(3-oxomorpholin-4-yl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-nitro-4-(3-oxomorpholin-4-yl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 87847825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).