2-(1-aminocyclopentyl)-N-[1-(3-nitrophenyl)ethyl]acetamide

C15H21N3O3 — CID 64684273

IUPAC2-(1-aminocyclopentyl)-N-[1-(3-nitrophenyl)ethyl]acetamide
SMILESCC(NC(=O)CC1(N)CCCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O3/c1-11(12-5-4-6-13(9-12)18(20)21)17-14(19)10-15(16)7-2-3-8-15/h4-6,9,11H,2-3,7-8,10,16H2,1H3,(H,17,19)
InChIKeyUKNYISKZTPRPIF-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.43
Rot. Bonds5

About 2-(1-aminocyclopentyl)-N-[1-(3-nitrophenyl)ethyl]acetamide

2-(1-aminocyclopentyl)-N-[1-(3-nitrophenyl)ethyl]acetamide (PubChem CID 64684273) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-N-[1-(3-nitrophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-N-[1-(3-nitrophenyl)ethyl]acetamide
PubChem CID64684273
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-(1-aminocyclopentyl)-N-[1-(3-nitrophenyl)ethyl]acetamide
SMILESCC(NC(=O)CC1(N)CCCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O3/c1-11(12-5-4-6-13(9-12)18(20)21)17-14(19)10-15(16)7-2-3-8-15/h4-6,9,11H,2-3,7-8,10,16H2,1H3,(H,17,19)
InChIKeyUKNYISKZTPRPIF-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
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

2-(1-aminocyclopentyl)-N-[1-(3-bromophenyl)ethyl]acetamide
CID 64685994
2-(1-aminocyclohexyl)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 64684603
2-(1-aminocyclopentyl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 64677551
1-amino-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide
CID 65465737
3-amino-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 54862606
2-(1-aminocyclopentyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 81373583
2-(1-aminocyclobutyl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
CID 81371808
N-[1-(3-nitrophenyl)ethyl]-3-oxobutanamide
CID 54867131
2-(1-aminocyclobutyl)-N-(1-phenylethyl)acetamide
CID 79851717
N-[1-(3-acetamidophenyl)ethyl]-2-(1-aminocyclobutyl)acetamide
CID 79844247
3-amino-2-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 55104277
2-(1-aminocyclohexyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404106

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-N-[1-(3-nitrophenyl)ethyl]acetamide?
The IUPAC name of 2-(1-aminocyclopentyl)-N-[1-(3-nitrophenyl)ethyl]acetamide (CID 64684273) is 2-(1-aminocyclopentyl)-N-[1-(3-nitrophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclopentyl)-N-[1-(3-nitrophenyl)ethyl]acetamide?
The canonical SMILES for 2-(1-aminocyclopentyl)-N-[1-(3-nitrophenyl)ethyl]acetamide is CC(NC(=O)CC1(N)CCCC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(1-aminocyclopentyl)-N-[1-(3-nitrophenyl)ethyl]acetamide?
The InChIKey is UKNYISKZTPRPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11(12-5-4-6-13(9-12)18(20)21)17-14(19)10-15(16)7-2-3-8-15/h4-6,9,11H,2-3,7-8,10,16H2,1H3,(H,17,19).
What are the key properties of 2-(1-aminocyclopentyl)-N-[1-(3-nitrophenyl)ethyl]acetamide?
2-(1-aminocyclopentyl)-N-[1-(3-nitrophenyl)ethyl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-N-[1-(3-nitrophenyl)ethyl]acetamide is sourced from PubChem (CID 64684273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).