N-carbamoyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]acetamide

C12H16N2O4 — CID 78933968

IUPACN-carbamoyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]acetamide
SMILESCC[C@@H](O)c1ccc(OCC(=O)NC(N)=O)cc1
InChIInChI=1S/C12H16N2O4/c1-2-10(15)8-3-5-9(6-4-8)18-7-11(16)14-12(13)17/h3-6,10,15H,2,7H2,1H3,(H3,13,14,16,17)/t10-/m1/s1
InChIKeyWOFHSDCZXMJTIK-SNVBAGLBSA-N
MW252.27 g/mol
LogP0.70
Rot. Bonds5

About N-carbamoyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]acetamide

N-carbamoyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]acetamide (PubChem CID 78933968) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-carbamoyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]acetamide
PubChem CID78933968
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-carbamoyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]acetamide
SMILESCC[C@@H](O)c1ccc(OCC(=O)NC(N)=O)cc1
InChIInChI=1S/C12H16N2O4/c1-2-10(15)8-3-5-9(6-4-8)18-7-11(16)14-12(13)17/h3-6,10,15H,2,7H2,1H3,(H3,13,14,16,17)/t10-/m1/s1
InChIKeyWOFHSDCZXMJTIK-SNVBAGLBSA-N
XLogP0.70
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1S)-1-aminopropyl]phenoxy]-N-carbamoylacetamide
CID 30072606
2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63365734
2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide
CID 78934270
N-(cyanomethyl)-2-[4-[(1S)-1-hydroxypropyl]phenoxy]acetamide
CID 78934153
2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 78932114
2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide
CID 43504554
N-(4-ethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide
CID 86919939
2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methoxypropyl)acetamide
CID 63365686
3-[4-[(1S)-1-hydroxypropyl]phenoxy]propanamide
CID 78932628
N-carbamoyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561616
N-(2,5-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide
CID 110884598
N-carbamoyl-2-(4-phenylphenoxy)acetamide
CID 7868557

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]acetamide?
The IUPAC name of N-carbamoyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]acetamide (CID 78933968) is N-carbamoyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]acetamide.
What is the SMILES notation for N-carbamoyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]acetamide?
The canonical SMILES for N-carbamoyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]acetamide is CC[C@@H](O)c1ccc(OCC(=O)NC(N)=O)cc1.
What is the InChIKey of N-carbamoyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]acetamide?
The InChIKey is WOFHSDCZXMJTIK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-2-10(15)8-3-5-9(6-4-8)18-7-11(16)14-12(13)17/h3-6,10,15H,2,7H2,1H3,(H3,13,14,16,17)/t10-/m1/s1.
What are the key properties of N-carbamoyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]acetamide?
N-carbamoyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]acetamide has a molecular weight of 252.27 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]acetamide is sourced from PubChem (CID 78933968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).