N-[4-methoxy-3-(oxolan-3-ylamino)phenyl]acetamide

C13H18N2O3 — CID 63335794

IUPACN-[4-methoxy-3-(oxolan-3-ylamino)phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC1CCOC1
InChIInChI=1S/C13H18N2O3/c1-9(16)14-10-3-4-13(17-2)12(7-10)15-11-5-6-18-8-11/h3-4,7,11,15H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyQMBBMORQQMDEBN-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.85
Rot. Bonds4

About N-[4-methoxy-3-(oxolan-3-ylamino)phenyl]acetamide

N-[4-methoxy-3-(oxolan-3-ylamino)phenyl]acetamide (PubChem CID 63335794) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[4-methoxy-3-(oxolan-3-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(oxolan-3-ylamino)phenyl]acetamide
PubChem CID63335794
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[4-methoxy-3-(oxolan-3-ylamino)phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC1CCOC1
InChIInChI=1S/C13H18N2O3/c1-9(16)14-10-3-4-13(17-2)12(7-10)15-11-5-6-18-8-11/h3-4,7,11,15H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyQMBBMORQQMDEBN-UHFFFAOYSA-N
XLogP1.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methoxy-3-(thian-4-ylamino)phenyl]acetamide
CID 43715792
N-(2-methoxy-5-methylphenyl)oxolan-3-amine
CID 63331725
N-[3-[(1,1-dioxothian-4-yl)amino]-4-methoxyphenyl]acetamide
CID 43715791
N-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide
CID 64752342
N-[4-methoxy-3-(oxan-3-ylmethylamino)phenyl]acetamide
CID 63740553
N-(2-methoxyphenyl)oxolan-3-amine
CID 14978001
N-[3-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide
CID 97335336
N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 47127639
4-methoxy-3-(oxan-4-ylamino)benzoic acid
CID 55229938
N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide
CID 63331642
N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 4120812
3-(5-acetamido-2-methoxyanilino)propanoic acid
CID 54299266

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(oxolan-3-ylamino)phenyl]acetamide?
The IUPAC name of N-[4-methoxy-3-(oxolan-3-ylamino)phenyl]acetamide (CID 63335794) is N-[4-methoxy-3-(oxolan-3-ylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-methoxy-3-(oxolan-3-ylamino)phenyl]acetamide?
The canonical SMILES for N-[4-methoxy-3-(oxolan-3-ylamino)phenyl]acetamide is COc1ccc(NC(C)=O)cc1NC1CCOC1.
What is the InChIKey of N-[4-methoxy-3-(oxolan-3-ylamino)phenyl]acetamide?
The InChIKey is QMBBMORQQMDEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(16)14-10-3-4-13(17-2)12(7-10)15-11-5-6-18-8-11/h3-4,7,11,15H,5-6,8H2,1-2H3,(H,14,16).
What are the key properties of N-[4-methoxy-3-(oxolan-3-ylamino)phenyl]acetamide?
N-[4-methoxy-3-(oxolan-3-ylamino)phenyl]acetamide has a molecular weight of 250.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(oxolan-3-ylamino)phenyl]acetamide is sourced from PubChem (CID 63335794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).