N-cyclopropyl-N-methyl-2-[(4-nitrophenyl)methylamino]acetamide

C13H17N3O3 — CID 61488726

IUPACN-cyclopropyl-N-methyl-2-[(4-nitrophenyl)methylamino]acetamide
SMILESCN(C(=O)CNCc1ccc([N+](=O)[O-])cc1)C1CC1
InChIInChI=1S/C13H17N3O3/c1-15(11-6-7-11)13(17)9-14-8-10-2-4-12(5-3-10)16(18)19/h2-5,11,14H,6-9H2,1H3
InChIKeyHKHGGBHABJDIAA-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.31
Rot. Bonds6

About N-cyclopropyl-N-methyl-2-[(4-nitrophenyl)methylamino]acetamide

N-cyclopropyl-N-methyl-2-[(4-nitrophenyl)methylamino]acetamide (PubChem CID 61488726) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-2-[(4-nitrophenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-2-[(4-nitrophenyl)methylamino]acetamide
PubChem CID61488726
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-cyclopropyl-N-methyl-2-[(4-nitrophenyl)methylamino]acetamide
SMILESCN(C(=O)CNCc1ccc([N+](=O)[O-])cc1)C1CC1
InChIInChI=1S/C13H17N3O3/c1-15(11-6-7-11)13(17)9-14-8-10-2-4-12(5-3-10)16(18)19/h2-5,11,14H,6-9H2,1H3
InChIKeyHKHGGBHABJDIAA-UHFFFAOYSA-N
XLogP1.31
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.31
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

N-methyl-2-[(4-nitrophenyl)methylamino]acetamide
CID 43214518
2-methyl-N-[(4-nitrophenyl)methyl]prop-2-en-1-amine
CID 62331333
N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]-N-methylacetamide
CID 54837999
2-[(4-nitrophenyl)methylamino]-N-propan-2-ylacetamide
CID 43399991
2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclopropyl-N-methylacetamide
CID 62538780
N-[(4-nitrophenyl)methyl]cyclopropanecarboxamide
CID 61062523
N',N'-dimethyl-N-[(4-nitrophenyl)methyl]ethane-1,2-diamine
CID 4721334
N,N-diethyl-3-[(4-nitrophenyl)methylamino]propanamide
CID 60926865
N-cyclobutyl-N-methyl-2-[4-[(4-nitrophenyl)sulfanylmethyl]cyclohexyl]acetamide
CID 90761516
N-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide
CID 62316575
2-cyclopentyl-N-[(4-nitrophenyl)methyl]acetamide
CID 47312023
2-[(4-nitrophenyl)methylamino]-N-phenylacetamide
CID 60875406

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-2-[(4-nitrophenyl)methylamino]acetamide?
The IUPAC name of N-cyclopropyl-N-methyl-2-[(4-nitrophenyl)methylamino]acetamide (CID 61488726) is N-cyclopropyl-N-methyl-2-[(4-nitrophenyl)methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-2-[(4-nitrophenyl)methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-N-methyl-2-[(4-nitrophenyl)methylamino]acetamide is CN(C(=O)CNCc1ccc([N+](=O)[O-])cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-methyl-2-[(4-nitrophenyl)methylamino]acetamide?
The InChIKey is HKHGGBHABJDIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-15(11-6-7-11)13(17)9-14-8-10-2-4-12(5-3-10)16(18)19/h2-5,11,14H,6-9H2,1H3.
What are the key properties of N-cyclopropyl-N-methyl-2-[(4-nitrophenyl)methylamino]acetamide?
N-cyclopropyl-N-methyl-2-[(4-nitrophenyl)methylamino]acetamide has a molecular weight of 263.30 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-2-[(4-nitrophenyl)methylamino]acetamide is sourced from PubChem (CID 61488726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).