N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide

C14H21NO3 — CID 83030958

IUPACN-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)NC[C@H](C)O)c1
InChIInChI=1S/C14H21NO3/c1-10(2)9-18-13-6-4-5-12(7-13)14(17)15-8-11(3)16/h4-7,10-11,16H,8-9H2,1-3H3,(H,15,17)/t11-/m0/s1
InChIKeyFVLYMCUWNWFNSJ-NSHDSACASA-N
MW251.33 g/mol
LogP1.83
Rot. Bonds6

About N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide

N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide (PubChem CID 83030958) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide
PubChem CID83030958
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)NC[C@H](C)O)c1
InChIInChI=1S/C14H21NO3/c1-10(2)9-18-13-6-4-5-12(7-13)14(17)15-8-11(3)16/h4-7,10-11,16H,8-9H2,1-3H3,(H,15,17)/t11-/m0/s1
InChIKeyFVLYMCUWNWFNSJ-NSHDSACASA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-[[3-(2-methylpropoxy)benzoyl]amino]propanoic acid
CID 66168078
N-(2-hydroxypropylcarbamothioyl)-3-(2-methylpropoxy)benzamide
CID 17161995
N-(3-hydroxy-2-methylpropyl)-3-(2-methylpropoxy)benzamide
CID 65037333
3-(5-hydroxypentoxy)-N-[(2S)-2-hydroxypropyl]benzamide
CID 97221199
N-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide
CID 106842963
N-(2-hydroxypropyl)-3-[(2-methylphenyl)methoxy]benzamide
CID 111432837
N-[(3-hydroxycyclobutyl)methyl]-3-(2-methylpropoxy)benzamide
CID 66007075
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-methylpropoxy)benzamide
CID 107845536
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylpropoxy)benzamide
CID 120948701
3-(2-methylpropoxy)benzoyl chloride
CID 4772728
trans-(1S,2R)-2-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108732264
N-(2-amino-2-oxoethoxy)-3-(2-methylpropoxy)benzamide
CID 112551104

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide (CID 83030958) is N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide is CC(C)COc1cccc(C(=O)NC[C@H](C)O)c1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide?
The InChIKey is FVLYMCUWNWFNSJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(2)9-18-13-6-4-5-12(7-13)14(17)15-8-11(3)16/h4-7,10-11,16H,8-9H2,1-3H3,(H,15,17)/t11-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide?
N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide has a molecular weight of 251.33 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 N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 83030958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).