2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride

C13H21ClN2O — CID 3026030

IUPAC2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride
SMILESCCCCNCC(=O)Nc1ccccc1C.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-3-4-9-14-10-13(16)15-12-8-6-5-7-11(12)2;/h5-8,14H,3-4,9-10H2,1-2H3,(H,15,16);1H
InChIKeyKQSSAXRXIRYTFI-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.75
Rot. Bonds6

About 2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride

2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride (PubChem CID 3026030) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride
PubChem CID3026030
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride
SMILESCCCCNCC(=O)Nc1ccccc1C.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-3-4-9-14-10-13(16)15-12-8-6-5-7-11(12)2;/h5-8,14H,3-4,9-10H2,1-2H3,(H,15,16);1H
InChIKeyKQSSAXRXIRYTFI-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 ≤ 500256.78
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

N-(2-methylphenyl)-3-(pentylamino)propanamide
CID 109032228
2-(propylamino)-N-[2-[[2-(propylamino)acetyl]amino]phenyl]acetamide;hydrochloride
CID 54601113
N-(2,3-dimethylphenyl)-2-(hexadecylamino)acetamide
CID 54808961
2-(7-methyloctylamino)-N-(2-methylphenyl)acetamide
CID 103604920
2-(hex-5-ynylamino)-N-(2-methylphenyl)acetamide
CID 106211416
N-(2-bromophenyl)-2-(hexylamino)acetamide
CID 60648819
N-(2-fluorophenyl)-2-(octylamino)acetamide
CID 78914339
N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54815356
2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026049
2-[[2-(2-methylanilino)-2-oxoethyl]amino]ethyl carbamate
CID 83209981
2-(pentylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109005975
2-(2-bromoprop-2-enylamino)-N-(2-methylphenyl)acetamide
CID 115745529

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride (CID 3026030) is 2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride is CCCCNCC(=O)Nc1ccccc1C.Cl.
What is the InChIKey of 2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride?
The InChIKey is KQSSAXRXIRYTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-3-4-9-14-10-13(16)15-12-8-6-5-7-11(12)2;/h5-8,14H,3-4,9-10H2,1-2H3,(H,15,16);1H.
What are the key properties of 2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride?
2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride has a molecular weight of 256.78 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 2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 3026030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).