4-[1-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxamide

C15H21N3O3 — CID 43748840

IUPAC4-[1-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxamide
SMILESCC(NC1CCC(C(N)=O)CC1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O3/c1-10(13-4-2-3-5-14(13)18(20)21)17-12-8-6-11(7-9-12)15(16)19/h2-5,10-12,17H,6-9H2,1H3,(H2,16,19)
InChIKeyPHWZCVGRAGEECW-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.29
Rot. Bonds5

About 4-[1-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxamide

4-[1-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxamide (PubChem CID 43748840) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[1-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[1-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxamide
PubChem CID43748840
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-[1-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxamide
SMILESCC(NC1CCC(C(N)=O)CC1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O3/c1-10(13-4-2-3-5-14(13)18(20)21)17-12-8-6-11(7-9-12)15(16)19/h2-5,10-12,17H,6-9H2,1H3,(H2,16,19)
InChIKeyPHWZCVGRAGEECW-UHFFFAOYSA-N
XLogP2.29
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethyl-N-[1-(2-nitrophenyl)ethyl]piperidin-4-amine
CID 61039638
3-[1-(2-nitrophenyl)ethylamino]cyclohexan-1-ol
CID 43751277
[2-[1-(2-nitrophenyl)ethylamino]cyclopentyl]methanol
CID 103717133
4-[1-(4-chlorophenyl)ethylamino]cyclohexane-1-carboxamide
CID 43748795
1-[1-(2-nitrophenyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122009042
(1S)-1-cyclopentyl-N-[1-(2-nitrophenyl)ethyl]ethanamine
CID 81385572
2-[1-(2-nitrophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 115663609
4-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxamide
CID 43791667
N-[1-(2-nitrophenyl)ethyl]propan-2-amine
CID 43147503
ethyl 4-[1-(2-hydroxyphenyl)ethylamino]cyclohexane-1-carboxylate
CID 60932980
N-[1-(2-nitrophenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752333
methyl (2S)-2-(2-nitrophenyl)propanoate
CID 129390195

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[1-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxamide (CID 43748840) is 4-[1-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[1-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[1-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxamide is CC(NC1CCC(C(N)=O)CC1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-[1-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxamide?
The InChIKey is PHWZCVGRAGEECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(13-4-2-3-5-14(13)18(20)21)17-12-8-6-11(7-9-12)15(16)19/h2-5,10-12,17H,6-9H2,1H3,(H2,16,19).
What are the key properties of 4-[1-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxamide?
4-[1-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 43748840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).