N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-hydroxybutanamide

C14H20N2O3 — CID 79200620

IUPACN-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-hydroxybutanamide
SMILESCN(C)C(=O)Cc1ccc(NC(=O)CCCO)cc1
InChIInChI=1S/C14H20N2O3/c1-16(2)14(19)10-11-5-7-12(8-6-11)15-13(18)4-3-9-17/h5-8,17H,3-4,9-10H2,1-2H3,(H,15,18)
InChIKeyMQGKPQVIOHMANB-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.03
Rot. Bonds6

About N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-hydroxybutanamide

N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-hydroxybutanamide (PubChem CID 79200620) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-hydroxybutanamide
PubChem CID79200620
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-hydroxybutanamide
SMILESCN(C)C(=O)Cc1ccc(NC(=O)CCCO)cc1
InChIInChI=1S/C14H20N2O3/c1-16(2)14(19)10-11-5-7-12(8-6-11)15-13(18)4-3-9-17/h5-8,17H,3-4,9-10H2,1-2H3,(H,15,18)
InChIKeyMQGKPQVIOHMANB-UHFFFAOYSA-N
XLogP1.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119719005
2-[4-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 43699528
4-[4-[2-(dimethylamino)-2-oxoethyl]anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133632
2-hydroxyethyl N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamate
CID 79346617
4-[[5-(dimethylamino)-5-oxopentanoyl]amino]benzoic acid
CID 119177773
N-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamothioyl]octanamide
CID 43915035
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide
CID 54924467
4-hydroxy-N-(4-methylsulfanylphenyl)butanamide
CID 79204834
N,N-dimethyl-2-[4-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetamide
CID 79286921
N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methoxypentanamide
CID 86871795
N,N-dimethyl-2-[4-(propan-2-ylamino)phenyl]acetamide
CID 43720790
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide
CID 42643106

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-hydroxybutanamide?
The IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-hydroxybutanamide (CID 79200620) is N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-hydroxybutanamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-hydroxybutanamide?
The canonical SMILES for N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-hydroxybutanamide is CN(C)C(=O)Cc1ccc(NC(=O)CCCO)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-hydroxybutanamide?
The InChIKey is MQGKPQVIOHMANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16(2)14(19)10-11-5-7-12(8-6-11)15-13(18)4-3-9-17/h5-8,17H,3-4,9-10H2,1-2H3,(H,15,18).
What are the key properties of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-hydroxybutanamide?
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-hydroxybutanamide has a molecular weight of 264.32 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-hydroxybutanamide is sourced from PubChem (CID 79200620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).