N-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide

C14H21NO3 — CID 112548221

IUPACN-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N(C)C(C)CO)cc1
InChIInChI=1S/C14H21NO3/c1-4-9-18-13-7-5-12(6-8-13)14(17)15(3)11(2)10-16/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyVRURIXXCTFLEEG-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.93
Rot. Bonds6

About N-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide

N-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide (PubChem CID 112548221) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide
PubChem CID112548221
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N(C)C(C)CO)cc1
InChIInChI=1S/C14H21NO3/c1-4-9-18-13-7-5-12(6-8-13)14(17)15(3)11(2)10-16/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyVRURIXXCTFLEEG-UHFFFAOYSA-N
XLogP1.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-bromopropan-2-yl)-4-butoxy-N-methylbenzamide
CID 104555948
N-(1-hydroxypropan-2-yl)-N-methyl-4-sulfanylbenzamide
CID 107034868
4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765131
N-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide
CID 115765134
N-(1-aminopropan-2-yl)-N-methyl-4-(3-methylbutoxy)benzamide
CID 119583468
4-butyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 113343131
N-(1-chloropropan-2-yl)-4-ethoxy-N-methylbenzamide
CID 104555583
2-[methyl-(4-propoxybenzoyl)amino]acetic acid
CID 43239761
2-methyl-1-(4-propoxyphenyl)propan-1-one
CID 595976
4-(3,4-difluorophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 109388608
4-(bromomethyl)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 102852055
N-(1-hydroxypropan-2-yl)-4-propoxybenzamide
CID 43418970

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide (CID 112548221) is N-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide is CCCOc1ccc(C(=O)N(C)C(C)CO)cc1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide?
The InChIKey is VRURIXXCTFLEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-9-18-13-7-5-12(6-8-13)14(17)15(3)11(2)10-16/h5-8,11,16H,4,9-10H2,1-3H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide?
N-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide has a molecular weight of 251.33 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide is sourced from PubChem (CID 112548221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).