N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide

C14H21N3O2 — CID 54818859

IUPACN-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide
SMILESCCCNCC(=O)Nc1ccc(NC(=O)CC)cc1
InChIInChI=1S/C14H21N3O2/c1-3-9-15-10-14(19)17-12-7-5-11(6-8-12)16-13(18)4-2/h5-8,15H,3-4,9-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyZXTIQXNQXLJXAX-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.97
Rot. Bonds7

About N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide

N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide (PubChem CID 54818859) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide
PubChem CID54818859
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide
SMILESCCCNCC(=O)Nc1ccc(NC(=O)CC)cc1
InChIInChI=1S/C14H21N3O2/c1-3-9-15-10-14(19)17-12-7-5-11(6-8-12)16-13(18)4-2/h5-8,15H,3-4,9-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyZXTIQXNQXLJXAX-UHFFFAOYSA-N
XLogP1.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-(propylamino)acetamide
CID 28586343
N-[4-(diethylamino)phenyl]-2-(propylamino)acetamide
CID 60648364
2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 60648393
N-ethyl-4-[[2-(propylamino)acetyl]amino]benzamide
CID 54818586
N-(4-phenoxyphenyl)-2-(propylamino)acetamide
CID 54818609
N-(4-methylphenyl)-2-(pentylamino)acetamide
CID 28569144
1-[4-[[2-(propylamino)acetyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 115913919
N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54815356
2-(butylamino)-N-(4-ethylphenyl)acetamide
CID 108993075
N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(propylamino)acetamide
CID 60687796
butyl 4-[[2-(propylamino)acetyl]amino]benzoate
CID 60648371
N-(4-fluorophenyl)-2-(pentylamino)acetamide
CID 28569105

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide (CID 54818859) is N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide is CCCNCC(=O)Nc1ccc(NC(=O)CC)cc1.
What is the InChIKey of N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide?
The InChIKey is ZXTIQXNQXLJXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-9-15-10-14(19)17-12-7-5-11(6-8-12)16-13(18)4-2/h5-8,15H,3-4,9-10H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide?
N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide has a molecular weight of 263.34 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54818859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).