N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N,2-dimethylbenzamide

C15H21NO3 — CID 82829120

IUPACN-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N,2-dimethylbenzamide
SMILESCc1c(O)cccc1C(=O)N(C)CCOCC1CC1
InChIInChI=1S/C15H21NO3/c1-11-13(4-3-5-14(11)17)15(18)16(2)8-9-19-10-12-6-7-12/h3-5,12,17H,6-10H2,1-2H3
InChIKeyUQAFLRDUFOGHFC-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.20
Rot. Bonds6

About N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N,2-dimethylbenzamide

N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N,2-dimethylbenzamide (PubChem CID 82829120) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N,2-dimethylbenzamide
PubChem CID82829120
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N,2-dimethylbenzamide
SMILESCc1c(O)cccc1C(=O)N(C)CCOCC1CC1
InChIInChI=1S/C15H21NO3/c1-11-13(4-3-5-14(11)17)15(18)16(2)8-9-19-10-12-6-7-12/h3-5,12,17H,6-10H2,1-2H3
InChIKeyUQAFLRDUFOGHFC-UHFFFAOYSA-N
XLogP2.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N-methylbenzamide
CID 103747554
N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829035
N-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82828965
2,4-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide
CID 103883141
3-bromo-N-[2-(2-bromoethoxy)ethyl]-N,2-dimethylbenzamide
CID 114242783
N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N-methylquinoline-4-carboxamide
CID 71920415
5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 75458341
N-(cyclopropylmethyl)-N-ethyl-3-hydroxy-2-methylbenzamide
CID 82829503
N-[2-(cyclopropylmethoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide
CID 71856433
3,5-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide
CID 113349801
(2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-phenylacetamide
CID 104898158
N-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide
CID 82829027

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N,2-dimethylbenzamide?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N,2-dimethylbenzamide (CID 82829120) is N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N,2-dimethylbenzamide.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N,2-dimethylbenzamide?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N,2-dimethylbenzamide is Cc1c(O)cccc1C(=O)N(C)CCOCC1CC1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N,2-dimethylbenzamide?
The InChIKey is UQAFLRDUFOGHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-13(4-3-5-14(11)17)15(18)16(2)8-9-19-10-12-6-7-12/h3-5,12,17H,6-10H2,1-2H3.
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N,2-dimethylbenzamide?
N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N,2-dimethylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N,2-dimethylbenzamide is sourced from PubChem (CID 82829120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).