N-cyclopropyl-2-[methyl-[2-(2-nitrophenoxy)ethyl]amino]acetamide

C14H19N3O4 — CID 87013578

IUPACN-cyclopropyl-2-[methyl-[2-(2-nitrophenoxy)ethyl]amino]acetamide
SMILESCN(CCOc1ccccc1[N+](=O)[O-])CC(=O)NC1CC1
InChIInChI=1S/C14H19N3O4/c1-16(10-14(18)15-11-6-7-11)8-9-21-13-5-3-2-4-12(13)17(19)20/h2-5,11H,6-10H2,1H3,(H,15,18)
InChIKeyKVHGHKJRVPRWLM-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.18
Rot. Bonds8

About N-cyclopropyl-2-[methyl-[2-(2-nitrophenoxy)ethyl]amino]acetamide

N-cyclopropyl-2-[methyl-[2-(2-nitrophenoxy)ethyl]amino]acetamide (PubChem CID 87013578) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-cyclopropyl-2-[methyl-[2-(2-nitrophenoxy)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[methyl-[2-(2-nitrophenoxy)ethyl]amino]acetamide
PubChem CID87013578
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-cyclopropyl-2-[methyl-[2-(2-nitrophenoxy)ethyl]amino]acetamide
SMILESCN(CCOc1ccccc1[N+](=O)[O-])CC(=O)NC1CC1
InChIInChI=1S/C14H19N3O4/c1-16(10-14(18)15-11-6-7-11)8-9-21-13-5-3-2-4-12(13)17(19)20/h2-5,11H,6-10H2,1H3,(H,15,18)
InChIKeyKVHGHKJRVPRWLM-UHFFFAOYSA-N
XLogP1.18
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-cyclopropyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 8909311
3-(2-nitrophenoxy)-N-piperidin-4-ylpropanamide
CID 119388489
2-[3-(2-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide
CID 43574806
N-cyclopropyl-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide
CID 9053004
N-(4-aminocyclohexyl)-2-(2-nitrophenoxy)acetamide
CID 119476242
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 27123734
3-(2-nitrophenoxy)-N-piperidin-3-ylpropanamide
CID 119427117
N-(2-methylpiperidin-4-yl)-3-(2-nitrophenoxy)propanamide;hydrochloride
CID 120601482
N-[2-(cycloheptylamino)ethyl]-3-(2-nitrophenoxy)propanamide
CID 119620500
2-[2-(4-cyanophenoxy)ethyl-methylamino]-N-cyclopropylacetamide
CID 60670088
N-[2-(dimethylamino)ethyl]-4-(2-nitrophenoxy)butanamide
CID 84553929
2-[methyl-[4-(2-nitrophenoxy)butanoyl]amino]acetic acid
CID 84557633

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[methyl-[2-(2-nitrophenoxy)ethyl]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[methyl-[2-(2-nitrophenoxy)ethyl]amino]acetamide (CID 87013578) is N-cyclopropyl-2-[methyl-[2-(2-nitrophenoxy)ethyl]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[methyl-[2-(2-nitrophenoxy)ethyl]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[methyl-[2-(2-nitrophenoxy)ethyl]amino]acetamide is CN(CCOc1ccccc1[N+](=O)[O-])CC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[methyl-[2-(2-nitrophenoxy)ethyl]amino]acetamide?
The InChIKey is KVHGHKJRVPRWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-16(10-14(18)15-11-6-7-11)8-9-21-13-5-3-2-4-12(13)17(19)20/h2-5,11H,6-10H2,1H3,(H,15,18).
What are the key properties of N-cyclopropyl-2-[methyl-[2-(2-nitrophenoxy)ethyl]amino]acetamide?
N-cyclopropyl-2-[methyl-[2-(2-nitrophenoxy)ethyl]amino]acetamide has a molecular weight of 293.32 g/mol, XLogP of 1.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[methyl-[2-(2-nitrophenoxy)ethyl]amino]acetamide is sourced from PubChem (CID 87013578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).