1-(aminomethyl)-N-(2-hydroxy-5-nitrophenyl)cyclohexane-1-carboxamide

C14H19N3O4 — CID 107744548

IUPAC1-(aminomethyl)-N-(2-hydroxy-5-nitrophenyl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCCCC1
InChIInChI=1S/C14H19N3O4/c15-9-14(6-2-1-3-7-14)13(19)16-11-8-10(17(20)21)4-5-12(11)18/h4-5,8,18H,1-3,6-7,9,15H2,(H,16,19)
InChIKeyLOABZAWIDLCFIX-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.15
Rot. Bonds4

About 1-(aminomethyl)-N-(2-hydroxy-5-nitrophenyl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-(2-hydroxy-5-nitrophenyl)cyclohexane-1-carboxamide (PubChem CID 107744548) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-hydroxy-5-nitrophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-hydroxy-5-nitrophenyl)cyclohexane-1-carboxamide
PubChem CID107744548
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-(aminomethyl)-N-(2-hydroxy-5-nitrophenyl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCCCC1
InChIInChI=1S/C14H19N3O4/c15-9-14(6-2-1-3-7-14)13(19)16-11-8-10(17(20)21)4-5-12(11)18/h4-5,8,18H,1-3,6-7,9,15H2,(H,16,19)
InChIKeyLOABZAWIDLCFIX-UHFFFAOYSA-N
XLogP2.15
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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

1-(aminomethyl)-N-(2-bromo-4-nitrophenyl)cyclobutane-1-carboxamide
CID 115447730
4-(aminomethyl)-N-(2-hydroxy-4-nitrophenyl)oxane-4-carboxamide
CID 107744257
1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide
CID 81485238
3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide
CID 107744574
1-(aminomethyl)-N-(5-methyl-2-nitrophenyl)cyclohexane-1-carboxamide
CID 115912642
1-(aminomethyl)-N-(4-chloro-2-nitrophenyl)cyclopentane-1-carboxamide
CID 115434825
2-[1-(aminomethyl)cyclopentyl]-4-nitrophenol
CID 117344881
N-(2-hydroxy-5-nitrophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107744568
1-amino-N-(2-hydroxy-4-nitrophenyl)cyclopropane-1-carboxamide
CID 107744191
1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide
CID 115443708
N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide
CID 103602349
2-(4-chlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4639208

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-hydroxy-5-nitrophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-hydroxy-5-nitrophenyl)cyclohexane-1-carboxamide (CID 107744548) is 1-(aminomethyl)-N-(2-hydroxy-5-nitrophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-hydroxy-5-nitrophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-hydroxy-5-nitrophenyl)cyclohexane-1-carboxamide is NCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-hydroxy-5-nitrophenyl)cyclohexane-1-carboxamide?
The InChIKey is LOABZAWIDLCFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c15-9-14(6-2-1-3-7-14)13(19)16-11-8-10(17(20)21)4-5-12(11)18/h4-5,8,18H,1-3,6-7,9,15H2,(H,16,19).
What are the key properties of 1-(aminomethyl)-N-(2-hydroxy-5-nitrophenyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(2-hydroxy-5-nitrophenyl)cyclohexane-1-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-hydroxy-5-nitrophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107744548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).