N-[3-[(2-methyl-N-propan-2-ylanilino)methyl]phenyl]acetamide

C19H24N2O — CID 86893492

IUPACN-[3-[(2-methyl-N-propan-2-ylanilino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CN(c2ccccc2C)C(C)C)c1
InChIInChI=1S/C19H24N2O/c1-14(2)21(19-11-6-5-8-15(19)3)13-17-9-7-10-18(12-17)20-16(4)22/h5-12,14H,13H2,1-4H3,(H,20,22)
InChIKeyRUTYQABBHYPJBE-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.37
Rot. Bonds5

About N-[3-[(2-methyl-N-propan-2-ylanilino)methyl]phenyl]acetamide

N-[3-[(2-methyl-N-propan-2-ylanilino)methyl]phenyl]acetamide (PubChem CID 86893492) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[3-[(2-methyl-N-propan-2-ylanilino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2-methyl-N-propan-2-ylanilino)methyl]phenyl]acetamide
PubChem CID86893492
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-[3-[(2-methyl-N-propan-2-ylanilino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CN(c2ccccc2C)C(C)C)c1
InChIInChI=1S/C19H24N2O/c1-14(2)21(19-11-6-5-8-15(19)3)13-17-9-7-10-18(12-17)20-16(4)22/h5-12,14H,13H2,1-4H3,(H,20,22)
InChIKeyRUTYQABBHYPJBE-UHFFFAOYSA-N
XLogP4.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[3-(2-bromo-4-methylpentyl)phenyl]acetamide
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N-[3-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]acetamide
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N-[[3-(butan-2-ylcarbamoylamino)phenyl]methyl]-N-methylacetamide
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CID 89451371
N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 39575947
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide
CID 113014989
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
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N-[3-[1-(2-methylphenyl)ethylamino]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methyl-N-propan-2-ylanilino)methyl]phenyl]acetamide?
The IUPAC name of N-[3-[(2-methyl-N-propan-2-ylanilino)methyl]phenyl]acetamide (CID 86893492) is N-[3-[(2-methyl-N-propan-2-ylanilino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(2-methyl-N-propan-2-ylanilino)methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(2-methyl-N-propan-2-ylanilino)methyl]phenyl]acetamide is CC(=O)Nc1cccc(CN(c2ccccc2C)C(C)C)c1.
What is the InChIKey of N-[3-[(2-methyl-N-propan-2-ylanilino)methyl]phenyl]acetamide?
The InChIKey is RUTYQABBHYPJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-14(2)21(19-11-6-5-8-15(19)3)13-17-9-7-10-18(12-17)20-16(4)22/h5-12,14H,13H2,1-4H3,(H,20,22).
What are the key properties of N-[3-[(2-methyl-N-propan-2-ylanilino)methyl]phenyl]acetamide?
N-[3-[(2-methyl-N-propan-2-ylanilino)methyl]phenyl]acetamide has a molecular weight of 296.41 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methyl-N-propan-2-ylanilino)methyl]phenyl]acetamide is sourced from PubChem (CID 86893492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).