4-(diethylamino)-N-(1,3-dihydroxypropan-2-yl)benzamide

C14H22N2O3 — CID 65312704

IUPAC4-(diethylamino)-N-(1,3-dihydroxypropan-2-yl)benzamide
SMILESCCN(CC)c1ccc(C(=O)NC(CO)CO)cc1
InChIInChI=1S/C14H22N2O3/c1-3-16(4-2)13-7-5-11(6-8-13)14(19)15-12(9-17)10-18/h5-8,12,17-18H,3-4,9-10H2,1-2H3,(H,15,19)
InChIKeyHBZZDUCSDWCKIA-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.62
Rot. Bonds7

About 4-(diethylamino)-N-(1,3-dihydroxypropan-2-yl)benzamide

4-(diethylamino)-N-(1,3-dihydroxypropan-2-yl)benzamide (PubChem CID 65312704) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(diethylamino)-N-(1,3-dihydroxypropan-2-yl)benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-(1,3-dihydroxypropan-2-yl)benzamide
PubChem CID65312704
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-(diethylamino)-N-(1,3-dihydroxypropan-2-yl)benzamide
SMILESCCN(CC)c1ccc(C(=O)NC(CO)CO)cc1
InChIInChI=1S/C14H22N2O3/c1-3-16(4-2)13-7-5-11(6-8-13)14(19)15-12(9-17)10-18/h5-8,12,17-18H,3-4,9-10H2,1-2H3,(H,15,19)
InChIKeyHBZZDUCSDWCKIA-UHFFFAOYSA-N
XLogP0.62
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 79031417
2-[[4-(diethylamino)benzoyl]amino]-3-hydroxypropanoic acid
CID 43241212
4-(diethylamino)-N-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]benzamide
CID 139765270
4-(diethylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 107846242
4-(diethylamino)-N-(4-hydroxybutyl)benzamide
CID 106843290
N-[1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 18280098
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032259
methyl 4-[[[4-(diethylamino)benzoyl]amino]carbamoyl]benzoate
CID 9156446
N-(2-acetamidoethyl)-4-(diethylamino)benzamide
CID 2481626
N-[(2R)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032260
N-[(2S)-1-aminopropan-2-yl]-4-[butyl(ethyl)amino]benzamide
CID 120505281

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-(1,3-dihydroxypropan-2-yl)benzamide?
The IUPAC name of 4-(diethylamino)-N-(1,3-dihydroxypropan-2-yl)benzamide (CID 65312704) is 4-(diethylamino)-N-(1,3-dihydroxypropan-2-yl)benzamide.
What is the SMILES notation for 4-(diethylamino)-N-(1,3-dihydroxypropan-2-yl)benzamide?
The canonical SMILES for 4-(diethylamino)-N-(1,3-dihydroxypropan-2-yl)benzamide is CCN(CC)c1ccc(C(=O)NC(CO)CO)cc1.
What is the InChIKey of 4-(diethylamino)-N-(1,3-dihydroxypropan-2-yl)benzamide?
The InChIKey is HBZZDUCSDWCKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-16(4-2)13-7-5-11(6-8-13)14(19)15-12(9-17)10-18/h5-8,12,17-18H,3-4,9-10H2,1-2H3,(H,15,19).
What are the key properties of 4-(diethylamino)-N-(1,3-dihydroxypropan-2-yl)benzamide?
4-(diethylamino)-N-(1,3-dihydroxypropan-2-yl)benzamide has a molecular weight of 266.34 g/mol, XLogP of 0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-(1,3-dihydroxypropan-2-yl)benzamide is sourced from PubChem (CID 65312704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).