N-(1-hydroxypropan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide

C15H21NO4 — CID 78857545

IUPACN-(1-hydroxypropan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
SMILESC/C=C/c1ccc(OCC(=O)NC(C)CO)c(OC)c1
InChIInChI=1S/C15H21NO4/c1-4-5-12-6-7-13(14(8-12)19-3)20-10-15(18)16-11(2)9-17/h4-8,11,17H,9-10H2,1-3H3,(H,16,18)/b5-4+
InChIKeyNMXNEHXPNAZXKP-SNAWJCMRSA-N
MW279.34 g/mol
LogP1.60
Rot. Bonds7

About N-(1-hydroxypropan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide

N-(1-hydroxypropan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide (PubChem CID 78857545) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
PubChem CID78857545
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC NameN-(1-hydroxypropan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
SMILESC/C=C/c1ccc(OCC(=O)NC(C)CO)c(OC)c1
InChIInChI=1S/C15H21NO4/c1-4-5-12-6-7-13(14(8-12)19-3)20-10-15(18)16-11(2)9-17/h4-8,11,17H,9-10H2,1-3H3,(H,16,18)/b5-4+
InChIKeyNMXNEHXPNAZXKP-SNAWJCMRSA-N
XLogP1.60
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-ethyl-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]propanamide
CID 8751619
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 24635638
1-(2-methoxy-4-prop-1-enylphenoxy)-3-methylbutan-2-one
CID 79395591
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8527680
N-[(2R)-2-(ethylamino)propyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride
CID 120650568
N-[(2R)-1-hydroxypropan-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 39086763
2-(2-methoxy-4-prop-1-enylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 78766138
2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]acetamide
CID 9296003
N-cyclopropyl-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7973430
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride
CID 119606964
4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-4-phenylbutanoic acid
CID 119201059
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8879951

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide (CID 78857545) is N-(1-hydroxypropan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide is C/C=C/c1ccc(OCC(=O)NC(C)CO)c(OC)c1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide?
The InChIKey is NMXNEHXPNAZXKP-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-5-12-6-7-13(14(8-12)19-3)20-10-15(18)16-11(2)9-17/h4-8,11,17H,9-10H2,1-3H3,(H,16,18)/b5-4+.
What are the key properties of N-(1-hydroxypropan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide?
N-(1-hydroxypropan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide has a molecular weight of 279.34 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide is sourced from PubChem (CID 78857545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).