4-(dimethylamino)-N-(1-hydroxypropyl)benzamide

C12H18N2O2 — CID 126643932

IUPAC4-(dimethylamino)-N-(1-hydroxypropyl)benzamide
SMILESCCC(O)NC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C12H18N2O2/c1-4-11(15)13-12(16)9-5-7-10(8-6-9)14(2)3/h5-8,11,15H,4H2,1-3H3,(H,13,16)
InChIKeyNKCDGICLSFPDTO-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.21
Rot. Bonds4

About 4-(dimethylamino)-N-(1-hydroxypropyl)benzamide

4-(dimethylamino)-N-(1-hydroxypropyl)benzamide (PubChem CID 126643932) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(1-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(1-hydroxypropyl)benzamide
PubChem CID126643932
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-(dimethylamino)-N-(1-hydroxypropyl)benzamide
SMILESCCC(O)NC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C12H18N2O2/c1-4-11(15)13-12(16)9-5-7-10(8-6-9)14(2)3/h5-8,11,15H,4H2,1-3H3,(H,13,16)
InChIKeyNKCDGICLSFPDTO-UHFFFAOYSA-N
XLogP1.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N-propan-2-ylbenzamide
CID 18712040
4-(dimethylamino)-N-[1-(4-methylphenyl)propyl]benzamide
CID 24543534
N-[(2R)-1-aminopropan-2-yl]-4-(dimethylamino)benzamide
CID 104877065
N-[1-(4-bromophenyl)propyl]-4-(dimethylamino)benzamide
CID 43011620
2-[[4-(dimethylamino)benzoyl]amino]propanediamide
CID 25471332
4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-oxopentan-3-yl)benzamide
CID 139481264
4-(dimethylamino)-N-(1-methoxypropan-2-yl)benzamide
CID 2904147
N-(1-chloro-3-methylbutan-2-yl)-4-(dimethylamino)benzamide
CID 114305447
2-[[[4-(dimethylamino)benzoyl]amino]methyl]butanoic acid
CID 65217567
(2S)-3-[[4-(dimethylamino)benzoyl]amino]-2-hydroxypropanoic acid
CID 107833075
N-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide
CID 109059086
(3S)-3-[(4-chlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]propanoate
CID 6937101

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(1-hydroxypropyl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(1-hydroxypropyl)benzamide (CID 126643932) is 4-(dimethylamino)-N-(1-hydroxypropyl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(1-hydroxypropyl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(1-hydroxypropyl)benzamide is CCC(O)NC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(dimethylamino)-N-(1-hydroxypropyl)benzamide?
The InChIKey is NKCDGICLSFPDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-11(15)13-12(16)9-5-7-10(8-6-9)14(2)3/h5-8,11,15H,4H2,1-3H3,(H,13,16).
What are the key properties of 4-(dimethylamino)-N-(1-hydroxypropyl)benzamide?
4-(dimethylamino)-N-(1-hydroxypropyl)benzamide has a molecular weight of 222.29 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(1-hydroxypropyl)benzamide is sourced from PubChem (CID 126643932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).