2-[2-[(1R)-1-hydroxypropyl]-N-propan-2-ylanilino]acetamide

C14H22N2O2 — CID 113358980

IUPAC2-[2-[(1R)-1-hydroxypropyl]-N-propan-2-ylanilino]acetamide
SMILESCC[C@@H](O)c1ccccc1N(CC(N)=O)C(C)C
InChIInChI=1S/C14H22N2O2/c1-4-13(17)11-7-5-6-8-12(11)16(10(2)3)9-14(15)18/h5-8,10,13,17H,4,9H2,1-3H3,(H2,15,18)/t13-/m1/s1
InChIKeySDNYEVGEQMSYEU-CYBMUJFWSA-N
MW250.34 g/mol
LogP1.83
Rot. Bonds6

About 2-[2-[(1R)-1-hydroxypropyl]-N-propan-2-ylanilino]acetamide

2-[2-[(1R)-1-hydroxypropyl]-N-propan-2-ylanilino]acetamide (PubChem CID 113358980) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[2-[(1R)-1-hydroxypropyl]-N-propan-2-ylanilino]acetamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-hydroxypropyl]-N-propan-2-ylanilino]acetamide
PubChem CID113358980
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[2-[(1R)-1-hydroxypropyl]-N-propan-2-ylanilino]acetamide
SMILESCC[C@@H](O)c1ccccc1N(CC(N)=O)C(C)C
InChIInChI=1S/C14H22N2O2/c1-4-13(17)11-7-5-6-8-12(11)16(10(2)3)9-14(15)18/h5-8,10,13,17H,4,9H2,1-3H3,(H2,15,18)/t13-/m1/s1
InChIKeySDNYEVGEQMSYEU-CYBMUJFWSA-N
XLogP1.83
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol
CID 103959740
(1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 113358988
(1S)-1-[2-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 103960325
(1S)-1-[2-[ethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-ol
CID 103959999
(E)-3-[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]phenyl]prop-2-enoic acid
CID 54988857
(1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol
CID 78939531
2-[3-chloro-2-(hydroxymethyl)-N-propan-2-ylanilino]acetamide
CID 54989045
1-[2-[butan-2-yl(ethyl)amino]phenyl]ethanol
CID 43510195
2-[3-chloro-2-(ethylaminomethyl)-N-propan-2-ylanilino]acetamide
CID 54989235
(1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol
CID 103959967
N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]-N-methylanilino]acetamide
CID 103959904
2-[2-(1-hydroxypropyl)phenoxy]acetamide
CID 43503607

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-hydroxypropyl]-N-propan-2-ylanilino]acetamide?
The IUPAC name of 2-[2-[(1R)-1-hydroxypropyl]-N-propan-2-ylanilino]acetamide (CID 113358980) is 2-[2-[(1R)-1-hydroxypropyl]-N-propan-2-ylanilino]acetamide.
What is the SMILES notation for 2-[2-[(1R)-1-hydroxypropyl]-N-propan-2-ylanilino]acetamide?
The canonical SMILES for 2-[2-[(1R)-1-hydroxypropyl]-N-propan-2-ylanilino]acetamide is CC[C@@H](O)c1ccccc1N(CC(N)=O)C(C)C.
What is the InChIKey of 2-[2-[(1R)-1-hydroxypropyl]-N-propan-2-ylanilino]acetamide?
The InChIKey is SDNYEVGEQMSYEU-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-13(17)11-7-5-6-8-12(11)16(10(2)3)9-14(15)18/h5-8,10,13,17H,4,9H2,1-3H3,(H2,15,18)/t13-/m1/s1.
What are the key properties of 2-[2-[(1R)-1-hydroxypropyl]-N-propan-2-ylanilino]acetamide?
2-[2-[(1R)-1-hydroxypropyl]-N-propan-2-ylanilino]acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-hydroxypropyl]-N-propan-2-ylanilino]acetamide is sourced from PubChem (CID 113358980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).