N-(2-hydroxyethyl)-3-(3-methylphenyl)-N-pentan-3-ylpropanamide

C17H27NO2 — CID 62367281

IUPACN-(2-hydroxyethyl)-3-(3-methylphenyl)-N-pentan-3-ylpropanamide
SMILESCCC(CC)N(CCO)C(=O)CCc1cccc(C)c1
InChIInChI=1S/C17H27NO2/c1-4-16(5-2)18(11-12-19)17(20)10-9-15-8-6-7-14(3)13-15/h6-8,13,16,19H,4-5,9-12H2,1-3H3
InChIKeyWVXBWZGJQQPUCE-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.94
Rot. Bonds8

About N-(2-hydroxyethyl)-3-(3-methylphenyl)-N-pentan-3-ylpropanamide

N-(2-hydroxyethyl)-3-(3-methylphenyl)-N-pentan-3-ylpropanamide (PubChem CID 62367281) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(3-methylphenyl)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(3-methylphenyl)-N-pentan-3-ylpropanamide
PubChem CID62367281
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-(2-hydroxyethyl)-3-(3-methylphenyl)-N-pentan-3-ylpropanamide
SMILESCCC(CC)N(CCO)C(=O)CCc1cccc(C)c1
InChIInChI=1S/C17H27NO2/c1-4-16(5-2)18(11-12-19)17(20)10-9-15-8-6-7-14(3)13-15/h6-8,13,16,19H,4-5,9-12H2,1-3H3
InChIKeyWVXBWZGJQQPUCE-UHFFFAOYSA-N
XLogP2.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-3-(3-methylphenyl)propanamide
CID 60701900
N-(2-cyanoethyl)-3-(3-methylphenyl)-N-propan-2-ylpropanamide
CID 62367088
N-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide
CID 78844007
N,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide
CID 86913071
N-(2-aminoethyl)-3-(3-methylphenyl)-N-propylpropanamide
CID 62367401
N-(1-hydroxypentan-3-yl)-3-(3-methylphenyl)propanamide
CID 115767191
5-methyl-1-(3-methylphenyl)heptan-3-one
CID 105091725
ethyl 2-[3-(3-methylphenyl)propanoyl-propylamino]acetate
CID 61073689
3-[3-(3-methylphenyl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190391
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-(3-methylphenyl)propanamide
CID 107490945
(2S)-N-[(2R)-butan-2-yl]-2-[(3-methylphenyl)methyl-(3-phenylpropanoyl)amino]butanamide
CID 100667910
(2S)-N-[(2R)-butan-2-yl]-2-[(3-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide
CID 100537248

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(3-methylphenyl)-N-pentan-3-ylpropanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(3-methylphenyl)-N-pentan-3-ylpropanamide (CID 62367281) is N-(2-hydroxyethyl)-3-(3-methylphenyl)-N-pentan-3-ylpropanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(3-methylphenyl)-N-pentan-3-ylpropanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(3-methylphenyl)-N-pentan-3-ylpropanamide is CCC(CC)N(CCO)C(=O)CCc1cccc(C)c1.
What is the InChIKey of N-(2-hydroxyethyl)-3-(3-methylphenyl)-N-pentan-3-ylpropanamide?
The InChIKey is WVXBWZGJQQPUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-16(5-2)18(11-12-19)17(20)10-9-15-8-6-7-14(3)13-15/h6-8,13,16,19H,4-5,9-12H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-3-(3-methylphenyl)-N-pentan-3-ylpropanamide?
N-(2-hydroxyethyl)-3-(3-methylphenyl)-N-pentan-3-ylpropanamide has a molecular weight of 277.41 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(3-methylphenyl)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 62367281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).