N-cyclopropyl-N-(2-hydroxyethyl)-3-propoxybenzamide

C15H21NO3 — CID 62920027

IUPACN-cyclopropyl-N-(2-hydroxyethyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)N(CCO)C2CC2)c1
InChIInChI=1S/C15H21NO3/c1-2-10-19-14-5-3-4-12(11-14)15(18)16(8-9-17)13-6-7-13/h3-5,11,13,17H,2,6-10H2,1H3
InChIKeyRMZLJRJIBNHXIB-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.07
Rot. Bonds7

About N-cyclopropyl-N-(2-hydroxyethyl)-3-propoxybenzamide

N-cyclopropyl-N-(2-hydroxyethyl)-3-propoxybenzamide (PubChem CID 62920027) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-hydroxyethyl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-hydroxyethyl)-3-propoxybenzamide
PubChem CID62920027
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-cyclopropyl-N-(2-hydroxyethyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)N(CCO)C2CC2)c1
InChIInChI=1S/C15H21NO3/c1-2-10-19-14-5-3-4-12(11-14)15(18)16(8-9-17)13-6-7-13/h3-5,11,13,17H,2,6-10H2,1H3
InChIKeyRMZLJRJIBNHXIB-UHFFFAOYSA-N
XLogP2.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-propoxybenzamide
CID 55772522
3-(2-methoxyethoxy)-N-piperidin-4-yl-N-propylbenzamide
CID 119822999
N-(2-hydroxyethyl)-N-pentan-3-yl-3-propoxybenzamide
CID 62920536
N,N-dimethyl-3-propoxybenzamide
CID 28639811
3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 43576965
3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530577
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-propoxybenzamide
CID 7123222
N-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide
CID 63394478
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-ethylphenyl)methyl]-3-propoxybenzamide
CID 7499592
(4-methylcyclohexyl)-(3-propoxyphenyl)methanone
CID 114975149
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 79410069
N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-3-propoxybenzamide
CID 18818145

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-3-propoxybenzamide?
The IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-3-propoxybenzamide (CID 62920027) is N-cyclopropyl-N-(2-hydroxyethyl)-3-propoxybenzamide.
What is the SMILES notation for N-cyclopropyl-N-(2-hydroxyethyl)-3-propoxybenzamide?
The canonical SMILES for N-cyclopropyl-N-(2-hydroxyethyl)-3-propoxybenzamide is CCCOc1cccc(C(=O)N(CCO)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-(2-hydroxyethyl)-3-propoxybenzamide?
The InChIKey is RMZLJRJIBNHXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-10-19-14-5-3-4-12(11-14)15(18)16(8-9-17)13-6-7-13/h3-5,11,13,17H,2,6-10H2,1H3.
What are the key properties of N-cyclopropyl-N-(2-hydroxyethyl)-3-propoxybenzamide?
N-cyclopropyl-N-(2-hydroxyethyl)-3-propoxybenzamide has a molecular weight of 263.34 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-hydroxyethyl)-3-propoxybenzamide is sourced from PubChem (CID 62920027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).