2-(1-aminocyclobutyl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide

C14H19N3O3 — CID 75424637

IUPAC2-(1-aminocyclobutyl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide
SMILESCN(Cc1ccccc1[N+](=O)[O-])C(=O)CC1(N)CCC1
InChIInChI=1S/C14H19N3O3/c1-16(13(18)9-14(15)7-4-8-14)10-11-5-2-3-6-12(11)17(19)20/h2-3,5-6H,4,7-10,15H2,1H3
InChIKeyCQNSZNZHFAZAKU-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.82
Rot. Bonds5

About 2-(1-aminocyclobutyl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide

2-(1-aminocyclobutyl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide (PubChem CID 75424637) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide
PubChem CID75424637
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-(1-aminocyclobutyl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide
SMILESCN(Cc1ccccc1[N+](=O)[O-])C(=O)CC1(N)CCC1
InChIInChI=1S/C14H19N3O3/c1-16(13(18)9-14(15)7-4-8-14)10-11-5-2-3-6-12(11)17(19)20/h2-3,5-6H,4,7-10,15H2,1H3
InChIKeyCQNSZNZHFAZAKU-UHFFFAOYSA-N
XLogP1.82
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
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-amino-N-methyl-N-[(2-nitrophenyl)methyl]cyclopentane-1-carboxamide
CID 60946127
N-methyl-N-[(2-nitrophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60945755
N-methyl-N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide
CID 112686813
2-[2-[methyl-[(2-nitrophenyl)methyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 115586778
4-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pentanamide
CID 79200307
N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide
CID 46413108
1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine
CID 65020410
2-ethyl-N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide
CID 83064403
ethyl 3-[methyl-[(2-nitrophenyl)methyl]amino]propanoate
CID 61372410
N-methyl-N-[(2-nitrophenyl)methyl]but-2-enamide
CID 112726699
2-(1-aminocyclobutyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 79853909
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide
CID 46412703

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide (CID 75424637) is 2-(1-aminocyclobutyl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide is CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC1(N)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide?
The InChIKey is CQNSZNZHFAZAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16(13(18)9-14(15)7-4-8-14)10-11-5-2-3-6-12(11)17(19)20/h2-3,5-6H,4,7-10,15H2,1H3.
What are the key properties of 2-(1-aminocyclobutyl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide?
2-(1-aminocyclobutyl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide has a molecular weight of 277.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide is sourced from PubChem (CID 75424637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).