N-[[4-[2-(propan-2-ylamino)acetyl]phenyl]methyl]benzamide

C19H22N2O2 — CID 148634937

IUPACN-[[4-[2-(propan-2-ylamino)acetyl]phenyl]methyl]benzamide
SMILESCC(C)NCC(=O)c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-14(2)20-13-18(22)16-10-8-15(9-11-16)12-21-19(23)17-6-4-3-5-7-17/h3-11,14,20H,12-13H2,1-2H3,(H,21,23)
InChIKeyNIWPLOJEDMPTBU-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.80
Rot. Bonds7

About N-[[4-[2-(propan-2-ylamino)acetyl]phenyl]methyl]benzamide

N-[[4-[2-(propan-2-ylamino)acetyl]phenyl]methyl]benzamide (PubChem CID 148634937) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[[4-[2-(propan-2-ylamino)acetyl]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-[2-(propan-2-ylamino)acetyl]phenyl]methyl]benzamide
PubChem CID148634937
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[[4-[2-(propan-2-ylamino)acetyl]phenyl]methyl]benzamide
SMILESCC(C)NCC(=O)c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-14(2)20-13-18(22)16-10-8-15(9-11-16)12-21-19(23)17-6-4-3-5-7-17/h3-11,14,20H,12-13H2,1-2H3,(H,21,23)
InChIKeyNIWPLOJEDMPTBU-UHFFFAOYSA-N
XLogP2.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(4-methylphenyl)methyl]-4-phenylbenzamide
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N-[[4-(2-hydroxyethyl)phenyl]methyl]benzamide
CID 67712441
N-benzyl-4-(methylsulfanylmethyl)benzamide
CID 2542193
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
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N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
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1-phenyl-2-(1-phenylpropan-2-ylamino)ethanone;hydrochloride
CID 12910708

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(propan-2-ylamino)acetyl]phenyl]methyl]benzamide?
The IUPAC name of N-[[4-[2-(propan-2-ylamino)acetyl]phenyl]methyl]benzamide (CID 148634937) is N-[[4-[2-(propan-2-ylamino)acetyl]phenyl]methyl]benzamide.
What is the SMILES notation for N-[[4-[2-(propan-2-ylamino)acetyl]phenyl]methyl]benzamide?
The canonical SMILES for N-[[4-[2-(propan-2-ylamino)acetyl]phenyl]methyl]benzamide is CC(C)NCC(=O)c1ccc(CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[[4-[2-(propan-2-ylamino)acetyl]phenyl]methyl]benzamide?
The InChIKey is NIWPLOJEDMPTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14(2)20-13-18(22)16-10-8-15(9-11-16)12-21-19(23)17-6-4-3-5-7-17/h3-11,14,20H,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-[[4-[2-(propan-2-ylamino)acetyl]phenyl]methyl]benzamide?
N-[[4-[2-(propan-2-ylamino)acetyl]phenyl]methyl]benzamide has a molecular weight of 310.40 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(propan-2-ylamino)acetyl]phenyl]methyl]benzamide is sourced from PubChem (CID 148634937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).