N-tert-butyl-3-[[4-(hydroxymethyl)phenyl]methylamino]benzamide

C19H24N2O2 — CID 110006542

IUPACN-tert-butyl-3-[[4-(hydroxymethyl)phenyl]methylamino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NCc2ccc(CO)cc2)c1
InChIInChI=1S/C19H24N2O2/c1-19(2,3)21-18(23)16-5-4-6-17(11-16)20-12-14-7-9-15(13-22)10-8-14/h4-11,20,22H,12-13H2,1-3H3,(H,21,23)
InChIKeyUKMBBWGOOLZDRH-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.32
Rot. Bonds5

About N-tert-butyl-3-[[4-(hydroxymethyl)phenyl]methylamino]benzamide

N-tert-butyl-3-[[4-(hydroxymethyl)phenyl]methylamino]benzamide (PubChem CID 110006542) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-tert-butyl-3-[[4-(hydroxymethyl)phenyl]methylamino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[4-(hydroxymethyl)phenyl]methylamino]benzamide
PubChem CID110006542
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-tert-butyl-3-[[4-(hydroxymethyl)phenyl]methylamino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NCc2ccc(CO)cc2)c1
InChIInChI=1S/C19H24N2O2/c1-19(2,3)21-18(23)16-5-4-6-17(11-16)20-12-14-7-9-15(13-22)10-8-14/h4-11,20,22H,12-13H2,1-3H3,(H,21,23)
InChIKeyUKMBBWGOOLZDRH-UHFFFAOYSA-N
XLogP3.32
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
N-tert-butyl-3-[[2-(ethylamino)-2-oxoethyl]amino]benzamide
CID 54844517
N-tert-butyl-3-[(2-methoxyacetyl)amino]benzamide
CID 47251267
tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate
CID 51204750
3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide
CID 28650216
N-tert-butyl-3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzamide
CID 87006555
N-methyl-3-(pyridin-4-ylmethylamino)benzamide
CID 28650269
3-N-tert-butyl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide
CID 109056003
3-[(4-methylphenyl)methylamino]-N-propylbenzamide
CID 43675970
N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810230
3-(benzylamino)benzoic acid;3-(benzylamino)-N-propan-2-ylbenzamide
CID 158813508
tert-butyl 3-[(4-ethylphenyl)methylamino]benzoate
CID 70963157

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[4-(hydroxymethyl)phenyl]methylamino]benzamide?
The IUPAC name of N-tert-butyl-3-[[4-(hydroxymethyl)phenyl]methylamino]benzamide (CID 110006542) is N-tert-butyl-3-[[4-(hydroxymethyl)phenyl]methylamino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[4-(hydroxymethyl)phenyl]methylamino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[4-(hydroxymethyl)phenyl]methylamino]benzamide is CC(C)(C)NC(=O)c1cccc(NCc2ccc(CO)cc2)c1.
What is the InChIKey of N-tert-butyl-3-[[4-(hydroxymethyl)phenyl]methylamino]benzamide?
The InChIKey is UKMBBWGOOLZDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-19(2,3)21-18(23)16-5-4-6-17(11-16)20-12-14-7-9-15(13-22)10-8-14/h4-11,20,22H,12-13H2,1-3H3,(H,21,23).
What are the key properties of N-tert-butyl-3-[[4-(hydroxymethyl)phenyl]methylamino]benzamide?
N-tert-butyl-3-[[4-(hydroxymethyl)phenyl]methylamino]benzamide has a molecular weight of 312.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[4-(hydroxymethyl)phenyl]methylamino]benzamide is sourced from PubChem (CID 110006542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).