N-(4-hydroxybutan-2-yl)-3-methoxy-4-propan-2-yloxybenzamide

C15H23NO4 — CID 71847725

IUPACN-(4-hydroxybutan-2-yl)-3-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)NC(C)CCO)ccc1OC(C)C
InChIInChI=1S/C15H23NO4/c1-10(2)20-13-6-5-12(9-14(13)19-4)15(18)16-11(3)7-8-17/h5-6,9-11,17H,7-8H2,1-4H3,(H,16,18)
InChIKeyIIICPXYNXNZNJK-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.98
Rot. Bonds7

About N-(4-hydroxybutan-2-yl)-3-methoxy-4-propan-2-yloxybenzamide

N-(4-hydroxybutan-2-yl)-3-methoxy-4-propan-2-yloxybenzamide (PubChem CID 71847725) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-3-methoxy-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-3-methoxy-4-propan-2-yloxybenzamide
PubChem CID71847725
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-(4-hydroxybutan-2-yl)-3-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)NC(C)CCO)ccc1OC(C)C
InChIInChI=1S/C15H23NO4/c1-10(2)20-13-6-5-12(9-14(13)19-4)15(18)16-11(3)7-8-17/h5-6,9-11,17H,7-8H2,1-4H3,(H,16,18)
InChIKeyIIICPXYNXNZNJK-UHFFFAOYSA-N
XLogP1.98
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3,4-dimethoxybenzoyl)amino]-4-hydroxybutanoic acid
CID 107822287
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 46465379
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
(2R)-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2-phenylacetic acid
CID 119367895
N-(1-aminooxypropan-2-yl)-3,4-dimethoxybenzamide
CID 112501675
N-(4-amino-4-sulfanylidenebutan-2-yl)-3,4-dimethoxybenzamide
CID 62093873
3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881
4-butoxy-N-(1-hydroxypropan-2-yl)-3-methoxybenzamide
CID 78856853
N-(4-hydroxybutan-2-yl)-3-methoxybenzamide
CID 81041104
3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide
CID 79732831
3,4-dimethoxy-N-(1-phenylpropan-2-yl)benzamide
CID 2843229
3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 119249605

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-3-methoxy-4-propan-2-yloxybenzamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-3-methoxy-4-propan-2-yloxybenzamide (CID 71847725) is N-(4-hydroxybutan-2-yl)-3-methoxy-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-3-methoxy-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-3-methoxy-4-propan-2-yloxybenzamide is COc1cc(C(=O)NC(C)CCO)ccc1OC(C)C.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-3-methoxy-4-propan-2-yloxybenzamide?
The InChIKey is IIICPXYNXNZNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-10(2)20-13-6-5-12(9-14(13)19-4)15(18)16-11(3)7-8-17/h5-6,9-11,17H,7-8H2,1-4H3,(H,16,18).
What are the key properties of N-(4-hydroxybutan-2-yl)-3-methoxy-4-propan-2-yloxybenzamide?
N-(4-hydroxybutan-2-yl)-3-methoxy-4-propan-2-yloxybenzamide has a molecular weight of 281.35 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-3-methoxy-4-propan-2-yloxybenzamide is sourced from PubChem (CID 71847725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).