2-(propylamino)-N-[2-[[2-(propylamino)acetyl]amino]phenyl]acetamide;hydrochloride

C16H27ClN4O2 — CID 54601113

IUPAC2-(propylamino)-N-[2-[[2-(propylamino)acetyl]amino]phenyl]acetamide;hydrochloride
SMILESCCCNCC(=O)Nc1ccccc1NC(=O)CNCCC.Cl
InChIInChI=1S/C16H26N4O2.ClH/c1-3-9-17-11-15(21)19-13-7-5-6-8-14(13)20-16(22)12-18-10-4-2;/h5-8,17-18H,3-4,9-12H2,1-2H3,(H,19,21)(H,20,22);1H
InChIKeyZIVSAEPIOSNPIP-UHFFFAOYSA-N
MW342.87 g/mol
LogP1.98
Rot. Bonds10

About 2-(propylamino)-N-[2-[[2-(propylamino)acetyl]amino]phenyl]acetamide;hydrochloride

2-(propylamino)-N-[2-[[2-(propylamino)acetyl]amino]phenyl]acetamide;hydrochloride (PubChem CID 54601113) has the molecular formula C16H27ClN4O2 and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-(propylamino)-N-[2-[[2-(propylamino)acetyl]amino]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(propylamino)-N-[2-[[2-(propylamino)acetyl]amino]phenyl]acetamide;hydrochloride
PubChem CID54601113
Molecular FormulaC16H27ClN4O2
Molecular Weight342.87 g/mol
Exact Mass342.18
IUPAC Name2-(propylamino)-N-[2-[[2-(propylamino)acetyl]amino]phenyl]acetamide;hydrochloride
SMILESCCCNCC(=O)Nc1ccccc1NC(=O)CNCCC.Cl
InChIInChI=1S/C16H26N4O2.ClH/c1-3-9-17-11-15(21)19-13-7-5-6-8-14(13)20-16(22)12-18-10-4-2;/h5-8,17-18H,3-4,9-12H2,1-2H3,(H,19,21)(H,20,22);1H
InChIKeyZIVSAEPIOSNPIP-UHFFFAOYSA-N
XLogP1.98
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 54818713
2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026030
N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide
CID 60648203
N-(2-bromophenyl)-2-(hexylamino)acetamide
CID 60648819
N-(2-fluorophenyl)-2-(octylamino)acetamide
CID 78914339
N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide
CID 54818859
N-(4-methyl-3-pyridinyl)-2-(propylamino)acetamide
CID 63327491
2-(pentylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109005975
N-(4-phenoxyphenyl)-2-(propylamino)acetamide
CID 54818609
N-(4-fluorophenyl)-2-(propylamino)acetamide
CID 28586343
N-(2-ethoxyphenyl)-2-(2-hydroxyethylamino)acetamide
CID 82358452
N-(2,3-dimethylphenyl)-2-(hexadecylamino)acetamide
CID 54808961

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-N-[2-[[2-(propylamino)acetyl]amino]phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(propylamino)-N-[2-[[2-(propylamino)acetyl]amino]phenyl]acetamide;hydrochloride (CID 54601113) is 2-(propylamino)-N-[2-[[2-(propylamino)acetyl]amino]phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(propylamino)-N-[2-[[2-(propylamino)acetyl]amino]phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(propylamino)-N-[2-[[2-(propylamino)acetyl]amino]phenyl]acetamide;hydrochloride is CCCNCC(=O)Nc1ccccc1NC(=O)CNCCC.Cl.
What is the InChIKey of 2-(propylamino)-N-[2-[[2-(propylamino)acetyl]amino]phenyl]acetamide;hydrochloride?
The InChIKey is ZIVSAEPIOSNPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2.ClH/c1-3-9-17-11-15(21)19-13-7-5-6-8-14(13)20-16(22)12-18-10-4-2;/h5-8,17-18H,3-4,9-12H2,1-2H3,(H,19,21)(H,20,22);1H.
What are the key properties of 2-(propylamino)-N-[2-[[2-(propylamino)acetyl]amino]phenyl]acetamide;hydrochloride?
2-(propylamino)-N-[2-[[2-(propylamino)acetyl]amino]phenyl]acetamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 1.98, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-N-[2-[[2-(propylamino)acetyl]amino]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 54601113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).