4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide

C19H24N2O2 — CID 110881712

IUPAC4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide
SMILESCCCN(CCO)Cc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-2-12-21(13-14-22)15-16-8-10-17(11-9-16)19(23)20-18-6-4-3-5-7-18/h3-11,22H,2,12-15H2,1H3,(H,20,23)
InChIKeyXEUQMQPZVHXZRJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.14
Rot. Bonds8

About 4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide

4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide (PubChem CID 110881712) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide
PubChem CID110881712
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide
SMILESCCCN(CCO)Cc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-2-12-21(13-14-22)15-16-8-10-17(11-9-16)19(23)20-18-6-4-3-5-7-18/h3-11,22H,2,12-15H2,1H3,(H,20,23)
InChIKeyXEUQMQPZVHXZRJ-UHFFFAOYSA-N
XLogP3.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide
CID 111110287
4-[[[(2R)-2-cyanopropyl]-ethylamino]methyl]-N-phenylbenzamide
CID 51967572
4-[[bis(prop-2-enyl)amino]methyl]-N-phenylbenzamide
CID 78821935
3-[2-hydroxyethyl(propyl)amino]-N-phenylpropanamide
CID 62016603
4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide
CID 3027107
1-[[4-(hydrazinecarbonyl)phenyl]methyl]-3-phenyl-1-propylurea
CID 134584176
4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide
CID 55593914
N-[4-[[benzyl(propyl)amino]methyl]phenyl]-2-phenylacetamide
CID 166633000
4-[(dipropylamino)methyl]benzoic acid;hydrochloride
CID 75531543
4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide;hydrochloride
CID 3027106
4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide
CID 63572832
4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]-N-phenylbenzamide
CID 8692819

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide?
The IUPAC name of 4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide (CID 110881712) is 4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide?
The canonical SMILES for 4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide is CCCN(CCO)Cc1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide?
The InChIKey is XEUQMQPZVHXZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-12-21(13-14-22)15-16-8-10-17(11-9-16)19(23)20-18-6-4-3-5-7-18/h3-11,22H,2,12-15H2,1H3,(H,20,23).
What are the key properties of 4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide?
4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide has a molecular weight of 312.41 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide is sourced from PubChem (CID 110881712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).