2-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide

C15H22N2O4 — CID 120986481

IUPAC2-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
SMILESCOCC(N)C(=O)Nc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C15H22N2O4/c1-19-10-14(16)15(18)17-11-4-6-12(7-5-11)21-9-13-3-2-8-20-13/h4-7,13-14H,2-3,8-10,16H2,1H3,(H,17,18)
InChIKeyAYMFSRLSDUBGDQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.16
Rot. Bonds7

About 2-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide

2-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide (PubChem CID 120986481) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
PubChem CID120986481
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
SMILESCOCC(N)C(=O)Nc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C15H22N2O4/c1-19-10-14(16)15(18)17-11-4-6-12(7-5-11)21-9-13-3-2-8-20-13/h4-7,13-14H,2-3,8-10,16H2,1H3,(H,17,18)
InChIKeyAYMFSRLSDUBGDQ-UHFFFAOYSA-N
XLogP1.16
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]pentanamide;hydrochloride
CID 119712748
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 119712739
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]pentanamide
CID 120559985
2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate
CID 17339145
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
4-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 120588275
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7445362
N-(3-methoxypropyl)-4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 17222449
3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]-3-phenylpropanamide
CID 119949559
1-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119283523

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide (CID 120986481) is 2-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide is COCC(N)C(=O)Nc1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 2-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide?
The InChIKey is AYMFSRLSDUBGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-19-10-14(16)15(18)17-11-4-6-12(7-5-11)21-9-13-3-2-8-20-13/h4-7,13-14H,2-3,8-10,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide?
2-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide has a molecular weight of 294.35 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide is sourced from PubChem (CID 120986481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).