N-cyclopropyl-3-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide

C14H19N3O4 — CID 62625757

IUPACN-cyclopropyl-3-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide
SMILESCNCc1ccc(OCCC(=O)NC2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O4/c1-15-9-10-2-5-13(12(8-10)17(19)20)21-7-6-14(18)16-11-3-4-11/h2,5,8,11,15H,3-4,6-7,9H2,1H3,(H,16,18)
InChIKeyHDYSJSQHZBPKKE-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.36
Rot. Bonds8

About N-cyclopropyl-3-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide

N-cyclopropyl-3-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide (PubChem CID 62625757) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide
PubChem CID62625757
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-cyclopropyl-3-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide
SMILESCNCc1ccc(OCCC(=O)NC2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O4/c1-15-9-10-2-5-13(12(8-10)17(19)20)21-7-6-14(18)16-11-3-4-11/h2,5,8,11,15H,3-4,6-7,9H2,1H3,(H,16,18)
InChIKeyHDYSJSQHZBPKKE-UHFFFAOYSA-N
XLogP1.36
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
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

2-[3-(cyclopropylamino)-3-oxopropoxy]-5-nitrobenzoic acid
CID 62628474
1-[4-(2-ethoxyethoxy)-3-nitrophenyl]-N-methylmethanamine
CID 43383665
N-cyclopropyl-3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide
CID 104890101
N-cyclopropyl-3-[2-[(1S)-1-hydroxyethyl]-4-nitrophenoxy]propanamide
CID 104890356
N,N-diethyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]ethanamine
CID 43277714
4-[4-(ethylaminomethyl)-2-nitrophenoxy]-N-methylbutanamide
CID 63890093
N-cyclopropyl-3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanamide
CID 62626635
3-(2-nitrophenoxy)-N-piperidin-4-ylpropanamide
CID 119388489
N-[[4-(3-ethoxypropoxy)-3-nitrophenyl]methyl]cyclopropanamine
CID 65176724
3-[2-chloro-4-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylpropanamide
CID 62626638
N-[[3-nitro-4-(2-propoxyethoxy)phenyl]methyl]cyclopropanamine
CID 106449734
N-methyl-1-[4-(2-methylbutoxy)-3-nitrophenyl]methanamine
CID 62105475

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide?
The IUPAC name of N-cyclopropyl-3-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide (CID 62625757) is N-cyclopropyl-3-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide?
The canonical SMILES for N-cyclopropyl-3-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide is CNCc1ccc(OCCC(=O)NC2CC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-cyclopropyl-3-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide?
The InChIKey is HDYSJSQHZBPKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-15-9-10-2-5-13(12(8-10)17(19)20)21-7-6-14(18)16-11-3-4-11/h2,5,8,11,15H,3-4,6-7,9H2,1H3,(H,16,18).
What are the key properties of N-cyclopropyl-3-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide?
N-cyclopropyl-3-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide has a molecular weight of 293.32 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide is sourced from PubChem (CID 62625757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).