N-[4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]phenyl]-3-hydroxypropanamide

C19H23N3O3 — CID 70572054

IUPACN-[4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]phenyl]-3-hydroxypropanamide
SMILESCN(Cc1cccc(-c2ccc(NC(=O)CCO)cc2)c1)C(=O)CN
InChIInChI=1S/C19H23N3O3/c1-22(19(25)12-20)13-14-3-2-4-16(11-14)15-5-7-17(8-6-15)21-18(24)9-10-23/h2-8,11,23H,9-10,12-13,20H2,1H3,(H,21,24)
InChIKeyBHQQUOWAOQNKKK-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.59
Rot. Bonds7

About N-[4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]phenyl]-3-hydroxypropanamide

N-[4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]phenyl]-3-hydroxypropanamide (PubChem CID 70572054) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]phenyl]-3-hydroxypropanamide.

Molecular Properties

Compound NameN-[4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]phenyl]-3-hydroxypropanamide
PubChem CID70572054
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]phenyl]-3-hydroxypropanamide
SMILESCN(Cc1cccc(-c2ccc(NC(=O)CCO)cc2)c1)C(=O)CN
InChIInChI=1S/C19H23N3O3/c1-22(19(25)12-20)13-14-3-2-4-16(11-14)15-5-7-17(8-6-15)21-18(24)9-10-23/h2-8,11,23H,9-10,12-13,20H2,1H3,(H,21,24)
InChIKeyBHQQUOWAOQNKKK-UHFFFAOYSA-N
XLogP1.59
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide
CID 70572290
2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid
CID 134137520
2-amino-N-[[3-(4-benzoylphenyl)phenyl]methyl]-N-methylacetamide
CID 70572253
2-amino-N-[[3-[4-(diethylaminomethyl)phenyl]phenyl]methyl]-N-methylacetamide;dihydrochloride
CID 134138777
2-amino-N-[[3-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-N-methylacetamide
CID 70572704
2-amino-N-methyl-N-[[3-[4-(6-phenylhexanoyl)phenyl]phenyl]methyl]acetamide
CID 161031506
tert-butyl N-[2-[[3-(4-acetamidophenyl)phenyl]methyl-methylamino]-2-oxoethyl]carbamate
CID 70571297
2-amino-N-[[3-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-N-methylacetamide
CID 70572134
2-amino-N-[[3-[4-(2-cyclopentylacetyl)phenyl]phenyl]methyl]-N-methylacetamide
CID 153179413
4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-[[2-(dimethylamino)phenyl]methyl]benzamide
CID 70584009
2-amino-N-[[3-[4-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide
CID 70572392
2-amino-N-[[3-[4-[2-(2-hydroxyethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-N-methylacetamide
CID 70572111

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]phenyl]-3-hydroxypropanamide?
The IUPAC name of N-[4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]phenyl]-3-hydroxypropanamide (CID 70572054) is N-[4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]phenyl]-3-hydroxypropanamide.
What is the SMILES notation for N-[4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]phenyl]-3-hydroxypropanamide?
The canonical SMILES for N-[4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]phenyl]-3-hydroxypropanamide is CN(Cc1cccc(-c2ccc(NC(=O)CCO)cc2)c1)C(=O)CN.
What is the InChIKey of N-[4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]phenyl]-3-hydroxypropanamide?
The InChIKey is BHQQUOWAOQNKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-22(19(25)12-20)13-14-3-2-4-16(11-14)15-5-7-17(8-6-15)21-18(24)9-10-23/h2-8,11,23H,9-10,12-13,20H2,1H3,(H,21,24).
What are the key properties of N-[4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]phenyl]-3-hydroxypropanamide?
N-[4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]phenyl]-3-hydroxypropanamide has a molecular weight of 341.41 g/mol, XLogP of 1.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]phenyl]-3-hydroxypropanamide is sourced from PubChem (CID 70572054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).