2-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)-3-methylbutanamide

C15H22ClNO3 — CID 60653667

IUPAC2-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)N(CCO)CCO)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO3/c1-11(2)14(12-3-5-13(16)6-4-12)15(20)17(7-9-18)8-10-19/h3-6,11,14,18-19H,7-10H2,1-2H3
InChIKeyVRFXQZCPNPYLAX-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.89
Rot. Bonds7

About 2-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)-3-methylbutanamide

2-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)-3-methylbutanamide (PubChem CID 60653667) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)-3-methylbutanamide
PubChem CID60653667
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name2-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)N(CCO)CCO)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO3/c1-11(2)14(12-3-5-13(16)6-4-12)15(20)17(7-9-18)8-10-19/h3-6,11,14,18-19H,7-10H2,1-2H3
InChIKeyVRFXQZCPNPYLAX-UHFFFAOYSA-N
XLogP1.89
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 43576559
2-(4-chlorophenyl)-N,N,3-trimethylbutanamide
CID 60653268
2-[[2-(4-chlorophenyl)-3-methylbutanoyl]-methylamino]propanoic acid
CID 62627629
2-(4-chlorophenyl)-3-methylbutanethioic S-acid
CID 12774585
azane;(2R)-2-(4-chlorophenyl)-3-methylbutanoic acid
CID 70402898
2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide
CID 62225355
3-[1-(4-chlorophenyl)ethyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110894919
2-(4-chlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 115770820
lithium 2-(4-chlorophenyl)-3-methylbutanoate
CID 139900387
N,N-diethyl-3-methyl-2-(4-methylphenyl)butanamide
CID 110316778
2-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-3-methylbutanamide
CID 79030912
1-chloro-4-(1,1,2-trifluoro-4-methylpent-1-en-3-yl)benzene
CID 158152787

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)-3-methylbutanamide?
The IUPAC name of 2-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)-3-methylbutanamide (CID 60653667) is 2-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)-3-methylbutanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)-3-methylbutanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)-3-methylbutanamide is CC(C)C(C(=O)N(CCO)CCO)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)-3-methylbutanamide?
The InChIKey is VRFXQZCPNPYLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-11(2)14(12-3-5-13(16)6-4-12)15(20)17(7-9-18)8-10-19/h3-6,11,14,18-19H,7-10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)-3-methylbutanamide?
2-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)-3-methylbutanamide has a molecular weight of 299.80 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)-3-methylbutanamide is sourced from PubChem (CID 60653667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).