N-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propan-2-yloxypropanamide

C14H21NO3 — CID 95282952

IUPACN-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)N[C@H](C)c1cccc(O)c1
InChIInChI=1S/C14H21NO3/c1-10(2)18-8-7-14(17)15-11(3)12-5-4-6-13(16)9-12/h4-6,9-11,16H,7-8H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKeyMDCXZYMRPMJUGH-LLVKDONJSA-N
MW251.33 g/mol
LogP2.38
Rot. Bonds6

About N-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propan-2-yloxypropanamide

N-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propan-2-yloxypropanamide (PubChem CID 95282952) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propan-2-yloxypropanamide
PubChem CID95282952
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)N[C@H](C)c1cccc(O)c1
InChIInChI=1S/C14H21NO3/c1-10(2)18-8-7-14(17)15-11(3)12-5-4-6-13(16)9-12/h4-6,9-11,16H,7-8H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKeyMDCXZYMRPMJUGH-LLVKDONJSA-N
XLogP2.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide
CID 112688965
2-(2-aminoethoxy)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 79473809
3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide
CID 60837485
N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-propan-2-yloxypropanamide
CID 87001497
3-[1-(3-propan-2-yloxypropylamino)ethyl]phenol
CID 43207421
2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 54925343
[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 130686101
tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate
CID 56955758
(2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide
CID 79025425
1-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propylurea
CID 95239729
3-[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 99797134
N-[2-(dimethylamino)-1-phenylethyl]-3-propan-2-yloxypropanamide
CID 86929497

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propan-2-yloxypropanamide?
The IUPAC name of N-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propan-2-yloxypropanamide (CID 95282952) is N-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propan-2-yloxypropanamide?
The canonical SMILES for N-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propan-2-yloxypropanamide is CC(C)OCCC(=O)N[C@H](C)c1cccc(O)c1.
What is the InChIKey of N-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propan-2-yloxypropanamide?
The InChIKey is MDCXZYMRPMJUGH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(2)18-8-7-14(17)15-11(3)12-5-4-6-13(16)9-12/h4-6,9-11,16H,7-8H2,1-3H3,(H,15,17)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propan-2-yloxypropanamide?
N-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propan-2-yloxypropanamide has a molecular weight of 251.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propan-2-yloxypropanamide is sourced from PubChem (CID 95282952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).