N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide

C15H21NO3 — CID 111662905

IUPACN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(O)COCC2CC2)cc1
InChIInChI=1S/C15H21NO3/c1-11-2-6-13(7-3-11)15(18)16-8-14(17)10-19-9-12-4-5-12/h2-3,6-7,12,14,17H,4-5,8-10H2,1H3,(H,16,18)
InChIKeyDWVBAULKJFYJFO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.51
Rot. Bonds7

About N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide

N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide (PubChem CID 111662905) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide
PubChem CID111662905
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(O)COCC2CC2)cc1
InChIInChI=1S/C15H21NO3/c1-11-2-6-13(7-3-11)15(18)16-8-14(17)10-19-9-12-4-5-12/h2-3,6-7,12,14,17H,4-5,8-10H2,1H3,(H,16,18)
InChIKeyDWVBAULKJFYJFO-UHFFFAOYSA-N
XLogP1.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 111697850
3,5-dichloro-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]benzamide
CID 111662976
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide
CID 111697762
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 111697759
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[(2,4-dimethylphenyl)methyl]urea
CID 110911367
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea
CID 111103394
1-cyclopropyl-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 110007618
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide
CID 111112795
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 110911350
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-ethylphenyl)urea
CID 111103447
1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901833
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-ethylindole-2-carboxamide
CID 111662958

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide (CID 111662905) is N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(O)COCC2CC2)cc1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide?
The InChIKey is DWVBAULKJFYJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-2-6-13(7-3-11)15(18)16-8-14(17)10-19-9-12-4-5-12/h2-3,6-7,12,14,17H,4-5,8-10H2,1H3,(H,16,18).
What are the key properties of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide?
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide is sourced from PubChem (CID 111662905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).