N-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide

C15H21NO2 — CID 82829027

IUPACN-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide
SMILESCc1c(O)cccc1C(=O)N(CC1CC1)C(C)C
InChIInChI=1S/C15H21NO2/c1-10(2)16(9-12-7-8-12)15(18)13-5-4-6-14(17)11(13)3/h4-6,10,12,17H,7-9H2,1-3H3
InChIKeyGSIHJCNDPREDFW-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.96
Rot. Bonds4

About N-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide

N-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide (PubChem CID 82829027) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide
PubChem CID82829027
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide
SMILESCc1c(O)cccc1C(=O)N(CC1CC1)C(C)C
InChIInChI=1S/C15H21NO2/c1-10(2)16(9-12-7-8-12)15(18)13-5-4-6-14(17)11(13)3/h4-6,10,12,17H,7-9H2,1-3H3
InChIKeyGSIHJCNDPREDFW-UHFFFAOYSA-N
XLogP2.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-N-ethyl-3-hydroxy-2-methylbenzamide
CID 82829503
2-amino-N-(cyclopropylmethyl)-3-fluoro-N-propan-2-ylbenzamide
CID 62662646
N-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82828965
N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829035
4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide
CID 54945824
N-(cyclopropylmethyl)-2-hydroxy-5-methoxy-N-propan-2-ylbenzamide
CID 54945861
2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79721152
N-(cyclopropylmethyl)-6-fluoro-N-propan-2-ylpyridine-2-carboxamide
CID 115497703
3-bromo-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 107956248
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propan-2-ylbenzamide
CID 55000544
5-amino-N-(cyclopropylmethyl)-2-fluoro-N-propan-2-ylbenzamide
CID 55001664
2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 79722133

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide (CID 82829027) is N-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide is Cc1c(O)cccc1C(=O)N(CC1CC1)C(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide?
The InChIKey is GSIHJCNDPREDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(2)16(9-12-7-8-12)15(18)13-5-4-6-14(17)11(13)3/h4-6,10,12,17H,7-9H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide?
N-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 82829027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).