N-(2-hydroxyethyl)-N-pentan-3-yl-3-propoxybenzamide

C17H27NO3 — CID 62920536

IUPACN-(2-hydroxyethyl)-N-pentan-3-yl-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)N(CCO)C(CC)CC)c1
InChIInChI=1S/C17H27NO3/c1-4-12-21-16-9-7-8-14(13-16)17(20)18(10-11-19)15(5-2)6-3/h7-9,13,15,19H,4-6,10-12H2,1-3H3
InChIKeyBJDFQOWRGKAGJA-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.10
Rot. Bonds9

About N-(2-hydroxyethyl)-N-pentan-3-yl-3-propoxybenzamide

N-(2-hydroxyethyl)-N-pentan-3-yl-3-propoxybenzamide (PubChem CID 62920536) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-pentan-3-yl-3-propoxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-pentan-3-yl-3-propoxybenzamide
PubChem CID62920536
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-(2-hydroxyethyl)-N-pentan-3-yl-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)N(CCO)C(CC)CC)c1
InChIInChI=1S/C17H27NO3/c1-4-12-21-16-9-7-8-14(13-16)17(20)18(10-11-19)15(5-2)6-3/h7-9,13,15,19H,4-6,10-12H2,1-3H3
InChIKeyBJDFQOWRGKAGJA-UHFFFAOYSA-N
XLogP3.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(2-hydroxyethyl)-3-propoxybenzamide
CID 62920027
N,N-dimethyl-3-propoxybenzamide
CID 28639811
2-methyl-1-(3-propoxyphenyl)butan-1-one
CID 115788060
N-(2-chloroethyl)-N-pentan-3-yl-3-propan-2-yloxybenzamide
CID 63398302
N-(2-hydroxyethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide
CID 54993744
3-propoxybenzamide
CID 22311435
N-(cyanomethyl)-N-methyl-3-propoxybenzamide
CID 62253083
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-(2-cyanopropyl)-N-methyl-3-propoxybenzamide
CID 55124980
propan-2-yl 3-propoxybenzoate
CID 60979538
N-(3-amino-2-methylpropyl)-N-ethyl-3-propoxybenzamide
CID 62919665
N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methyl-3-propoxybenzamide
CID 63223603

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-pentan-3-yl-3-propoxybenzamide?
The IUPAC name of N-(2-hydroxyethyl)-N-pentan-3-yl-3-propoxybenzamide (CID 62920536) is N-(2-hydroxyethyl)-N-pentan-3-yl-3-propoxybenzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-pentan-3-yl-3-propoxybenzamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-pentan-3-yl-3-propoxybenzamide is CCCOc1cccc(C(=O)N(CCO)C(CC)CC)c1.
What is the InChIKey of N-(2-hydroxyethyl)-N-pentan-3-yl-3-propoxybenzamide?
The InChIKey is BJDFQOWRGKAGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-12-21-16-9-7-8-14(13-16)17(20)18(10-11-19)15(5-2)6-3/h7-9,13,15,19H,4-6,10-12H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-N-pentan-3-yl-3-propoxybenzamide?
N-(2-hydroxyethyl)-N-pentan-3-yl-3-propoxybenzamide has a molecular weight of 293.41 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-pentan-3-yl-3-propoxybenzamide is sourced from PubChem (CID 62920536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).