N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide

C14H22N2O — CID 54818713

IUPACN-(2-propan-2-ylphenyl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C14H22N2O/c1-4-9-15-10-14(17)16-13-8-6-5-7-12(13)11(2)3/h5-8,11,15H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyVTZDJVUOOINTPZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.75
Rot. Bonds6

About N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide

N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide (PubChem CID 54818713) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)-2-(propylamino)acetamide
PubChem CID54818713
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(2-propan-2-ylphenyl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C14H22N2O/c1-4-9-15-10-14(17)16-13-8-6-5-7-12(13)11(2)3/h5-8,11,15H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyVTZDJVUOOINTPZ-UHFFFAOYSA-N
XLogP2.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(propylamino)-N-[2-[[2-(propylamino)acetyl]amino]phenyl]acetamide;hydrochloride
CID 54601113
N-(2-propan-2-ylphenyl)propanamide
CID 723442
N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 60648439
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
(2S)-2-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]propanoic acid
CID 83194689
2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 112781301
N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide
CID 60648203
1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992289
2-nitroso-N-(2-propan-2-ylphenyl)acetamide
CID 91475814
N-(2-methylphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 42069296
2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid
CID 112517159
3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109013163

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide?
The IUPAC name of N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide (CID 54818713) is N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide is CCCNCC(=O)Nc1ccccc1C(C)C.
What is the InChIKey of N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide?
The InChIKey is VTZDJVUOOINTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-9-15-10-14(17)16-13-8-6-5-7-12(13)11(2)3/h5-8,11,15H,4,9-10H2,1-3H3,(H,16,17).
What are the key properties of N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide?
N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide has a molecular weight of 234.34 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide is sourced from PubChem (CID 54818713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).