N-[(2S)-2,3-dihydroxypropyl]-3-propan-2-ylbenzamide

C13H19NO3 — CID 172511882

IUPACN-[(2S)-2,3-dihydroxypropyl]-3-propan-2-ylbenzamide
SMILESCC(C)c1cccc(C(=O)NC[C@H](O)CO)c1
InChIInChI=1S/C13H19NO3/c1-9(2)10-4-3-5-11(6-10)13(17)14-7-12(16)8-15/h3-6,9,12,15-16H,7-8H2,1-2H3,(H,14,17)/t12-/m0/s1
InChIKeyKHHWDPDCVNJOHO-LBPRGKRZSA-N
MW237.30 g/mol
LogP0.89
Rot. Bonds5

About N-[(2S)-2,3-dihydroxypropyl]-3-propan-2-ylbenzamide

N-[(2S)-2,3-dihydroxypropyl]-3-propan-2-ylbenzamide (PubChem CID 172511882) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(2S)-2,3-dihydroxypropyl]-3-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2,3-dihydroxypropyl]-3-propan-2-ylbenzamide
PubChem CID172511882
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[(2S)-2,3-dihydroxypropyl]-3-propan-2-ylbenzamide
SMILESCC(C)c1cccc(C(=O)NC[C@H](O)CO)c1
InChIInChI=1S/C13H19NO3/c1-9(2)10-4-3-5-11(6-10)13(17)14-7-12(16)8-15/h3-6,9,12,15-16H,7-8H2,1-2H3,(H,14,17)/t12-/m0/s1
InChIKeyKHHWDPDCVNJOHO-LBPRGKRZSA-N
XLogP0.89
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
CID 40653428
2-[(3-propan-2-ylbenzoyl)amino]acetic acid
CID 90058974
3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide
CID 66175780
5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide
CID 153358046
N-(2,3-dihydroxypropyl)-3,4-difluorobenzamide
CID 66176013
5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide;ethane
CID 153358045
3-hydroxy-N-(2-hydroxybutyl)benzamide
CID 115577642
N-methylsulfonyl-3-propan-2-ylbenzamide
CID 59434803
N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylbenzamide
CID 134598612
3-amino-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65032070
3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031989
N-(2-hydroxy-4-methylpentyl)-3-nitrobenzamide
CID 103771399

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2,3-dihydroxypropyl]-3-propan-2-ylbenzamide?
The IUPAC name of N-[(2S)-2,3-dihydroxypropyl]-3-propan-2-ylbenzamide (CID 172511882) is N-[(2S)-2,3-dihydroxypropyl]-3-propan-2-ylbenzamide.
What is the SMILES notation for N-[(2S)-2,3-dihydroxypropyl]-3-propan-2-ylbenzamide?
The canonical SMILES for N-[(2S)-2,3-dihydroxypropyl]-3-propan-2-ylbenzamide is CC(C)c1cccc(C(=O)NC[C@H](O)CO)c1.
What is the InChIKey of N-[(2S)-2,3-dihydroxypropyl]-3-propan-2-ylbenzamide?
The InChIKey is KHHWDPDCVNJOHO-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)10-4-3-5-11(6-10)13(17)14-7-12(16)8-15/h3-6,9,12,15-16H,7-8H2,1-2H3,(H,14,17)/t12-/m0/s1.
What are the key properties of N-[(2S)-2,3-dihydroxypropyl]-3-propan-2-ylbenzamide?
N-[(2S)-2,3-dihydroxypropyl]-3-propan-2-ylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2,3-dihydroxypropyl]-3-propan-2-ylbenzamide is sourced from PubChem (CID 172511882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).