N-cyclopropyl-2-[2-methoxy-6-(propylaminomethyl)phenoxy]acetamide

C16H24N2O3 — CID 43472022

IUPACN-cyclopropyl-2-[2-methoxy-6-(propylaminomethyl)phenoxy]acetamide
SMILESCCCNCc1cccc(OC)c1OCC(=O)NC1CC1
InChIInChI=1S/C16H24N2O3/c1-3-9-17-10-12-5-4-6-14(20-2)16(12)21-11-15(19)18-13-7-8-13/h4-6,13,17H,3,7-11H2,1-2H3,(H,18,19)
InChIKeyOAWWWILFCCVIEN-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.85
Rot. Bonds9

About N-cyclopropyl-2-[2-methoxy-6-(propylaminomethyl)phenoxy]acetamide

N-cyclopropyl-2-[2-methoxy-6-(propylaminomethyl)phenoxy]acetamide (PubChem CID 43472022) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-methoxy-6-(propylaminomethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-methoxy-6-(propylaminomethyl)phenoxy]acetamide
PubChem CID43472022
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-cyclopropyl-2-[2-methoxy-6-(propylaminomethyl)phenoxy]acetamide
SMILESCCCNCc1cccc(OC)c1OCC(=O)NC1CC1
InChIInChI=1S/C16H24N2O3/c1-3-9-17-10-12-5-4-6-14(20-2)16(12)21-11-15(19)18-13-7-8-13/h4-6,13,17H,3,7-11H2,1-2H3,(H,18,19)
InChIKeyOAWWWILFCCVIEN-UHFFFAOYSA-N
XLogP1.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-methoxy-6-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 43472013
N-cyclopropyl-2-(2,3-dimethoxyphenoxy)acetamide
CID 112978329
N-tert-butyl-2-[2-(butylaminomethyl)-6-methoxyphenoxy]acetamide
CID 6472728
N-ethyl-2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 63056273
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-cyclopentylacetamide
CID 115952913
N-cyclopropyl-2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]acetamide
CID 43276771
N-[(3-methoxy-2-octoxyphenyl)methyl]propan-1-amine
CID 54804925
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43388382
N-[[2-(2-ethylbutoxy)-3-methoxyphenyl]methyl]propan-1-amine
CID 82927622
2-(2-formyl-6-methoxyphenoxy)-N-(oxan-4-yl)acetamide
CID 63097655
2-[2-[[2-(dimethylamino)ethylamino]methyl]-6-methoxyphenoxy]acetic acid
CID 102536745

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-methoxy-6-(propylaminomethyl)phenoxy]acetamide?
The IUPAC name of N-cyclopropyl-2-[2-methoxy-6-(propylaminomethyl)phenoxy]acetamide (CID 43472022) is N-cyclopropyl-2-[2-methoxy-6-(propylaminomethyl)phenoxy]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-methoxy-6-(propylaminomethyl)phenoxy]acetamide?
The canonical SMILES for N-cyclopropyl-2-[2-methoxy-6-(propylaminomethyl)phenoxy]acetamide is CCCNCc1cccc(OC)c1OCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[2-methoxy-6-(propylaminomethyl)phenoxy]acetamide?
The InChIKey is OAWWWILFCCVIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-9-17-10-12-5-4-6-14(20-2)16(12)21-11-15(19)18-13-7-8-13/h4-6,13,17H,3,7-11H2,1-2H3,(H,18,19).
What are the key properties of N-cyclopropyl-2-[2-methoxy-6-(propylaminomethyl)phenoxy]acetamide?
N-cyclopropyl-2-[2-methoxy-6-(propylaminomethyl)phenoxy]acetamide has a molecular weight of 292.38 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-methoxy-6-(propylaminomethyl)phenoxy]acetamide is sourced from PubChem (CID 43472022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).