N-(4-hydroxybutan-2-yl)-3-methoxybenzamide

C12H17NO3 — CID 81041104

IUPACN-(4-hydroxybutan-2-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C)CCO)c1
InChIInChI=1S/C12H17NO3/c1-9(6-7-14)13-12(15)10-4-3-5-11(8-10)16-2/h3-5,8-9,14H,6-7H2,1-2H3,(H,13,15)
InChIKeyHEDGXCAUYPOZSO-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.20
Rot. Bonds5

About N-(4-hydroxybutan-2-yl)-3-methoxybenzamide

N-(4-hydroxybutan-2-yl)-3-methoxybenzamide (PubChem CID 81041104) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-3-methoxybenzamide
PubChem CID81041104
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-(4-hydroxybutan-2-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C)CCO)c1
InChIInChI=1S/C12H17NO3/c1-9(6-7-14)13-12(15)10-4-3-5-11(8-10)16-2/h3-5,8-9,14H,6-7H2,1-2H3,(H,13,15)
InChIKeyHEDGXCAUYPOZSO-UHFFFAOYSA-N
XLogP1.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methoxybenzoyl)amino]butanoic acid
CID 43092439
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 81049875
N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-methoxybenzamide
CID 110284554
3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918037
N-(4-hydroxybutan-2-yl)-3-methoxy-4-propan-2-yloxybenzamide
CID 71847725
N-(1-bromo-3-methoxypropan-2-yl)-3-methoxybenzamide
CID 106183814
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide
CID 33300897
N-(1-amino-1-sulfanylidenepentan-2-yl)-3-methoxybenzamide
CID 61121299
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 42907068
N-butan-2-yl-2-[(3-methoxybenzoyl)amino]benzamide
CID 17417921
(2S)-2-[(3-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61144488

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-3-methoxybenzamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-3-methoxybenzamide (CID 81041104) is N-(4-hydroxybutan-2-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-3-methoxybenzamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-3-methoxybenzamide is COc1cccc(C(=O)NC(C)CCO)c1.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-3-methoxybenzamide?
The InChIKey is HEDGXCAUYPOZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(6-7-14)13-12(15)10-4-3-5-11(8-10)16-2/h3-5,8-9,14H,6-7H2,1-2H3,(H,13,15).
What are the key properties of N-(4-hydroxybutan-2-yl)-3-methoxybenzamide?
N-(4-hydroxybutan-2-yl)-3-methoxybenzamide has a molecular weight of 223.27 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-3-methoxybenzamide is sourced from PubChem (CID 81041104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).