N-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide

C14H20N2O3 — CID 65152231

IUPACN-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide
SMILESCOc1cc(N)ccc1NC(=O)CCC1CCCO1
InChIInChI=1S/C14H20N2O3/c1-18-13-9-10(15)4-6-12(13)16-14(17)7-5-11-3-2-8-19-11/h4,6,9,11H,2-3,5,7-8,15H2,1H3,(H,16,17)
InChIKeyWWRGTSHRVRLZKV-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.18
Rot. Bonds5

About N-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide

N-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide (PubChem CID 65152231) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide
PubChem CID65152231
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide
SMILESCOc1cc(N)ccc1NC(=O)CCC1CCCO1
InChIInChI=1S/C14H20N2O3/c1-18-13-9-10(15)4-6-12(13)16-14(17)7-5-11-3-2-8-19-11/h4,6,9,11H,2-3,5,7-8,15H2,1H3,(H,16,17)
InChIKeyWWRGTSHRVRLZKV-UHFFFAOYSA-N
XLogP2.18
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 63950896
N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63951302
N-(5-amino-2-chlorophenyl)-3-(oxolan-2-yl)propanamide
CID 65157307
N-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride
CID 120568872
N-(3-amino-4-methoxyphenyl)-3-(oxolan-2-yl)propanamide;hydrochloride
CID 119419458
N-(4-cyano-2-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 104848977
N-(4-amino-3-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 63953371
N-(2-fluoro-5-methoxyphenyl)-3-[(2S)-oxolan-2-yl]propanamide
CID 97053400
3-amino-4-[3-(oxolan-2-yl)propanoylamino]benzoic acid
CID 65157363
N-(4-amino-2-methoxyphenyl)-3-(oxan-4-ylsulfanyl)propanamide
CID 62996070
N-(4-amino-2-methoxyphenyl)-3-(oxan-4-yloxy)propanamide
CID 61286331
N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide
CID 65152082

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide (CID 65152231) is N-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide is COc1cc(N)ccc1NC(=O)CCC1CCCO1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide?
The InChIKey is WWRGTSHRVRLZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-13-9-10(15)4-6-12(13)16-14(17)7-5-11-3-2-8-19-11/h4,6,9,11H,2-3,5,7-8,15H2,1H3,(H,16,17).
What are the key properties of N-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide?
N-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide has a molecular weight of 264.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 65152231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).