N-ethyl-4-[[2-(propylamino)acetyl]amino]benzamide

C14H21N3O2 — CID 54818586

IUPACN-ethyl-4-[[2-(propylamino)acetyl]amino]benzamide
SMILESCCCNCC(=O)Nc1ccc(C(=O)NCC)cc1
InChIInChI=1S/C14H21N3O2/c1-3-9-15-10-13(18)17-12-7-5-11(6-8-12)14(19)16-4-2/h5-8,15H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHHACFCRPJAFPEP-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.37
Rot. Bonds7

About N-ethyl-4-[[2-(propylamino)acetyl]amino]benzamide

N-ethyl-4-[[2-(propylamino)acetyl]amino]benzamide (PubChem CID 54818586) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-ethyl-4-[[2-(propylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-(propylamino)acetyl]amino]benzamide
PubChem CID54818586
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-ethyl-4-[[2-(propylamino)acetyl]amino]benzamide
SMILESCCCNCC(=O)Nc1ccc(C(=O)NCC)cc1
InChIInChI=1S/C14H21N3O2/c1-3-9-15-10-13(18)17-12-7-5-11(6-8-12)14(19)16-4-2/h5-8,15H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHHACFCRPJAFPEP-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
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-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839505
N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide
CID 54818859
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoic acid
CID 55049118
N-(4-fluorophenyl)-2-(propylamino)acetamide
CID 28586343
[4-(ethylcarbamoyl)phenyl]carbamic acid;propane
CID 142227182
2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 60648393
4-(hexanoylamino)-N-propylbenzamide
CID 17218821
N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide
CID 54828874
2-[[4-[[4-oxo-4-(propylamino)butanoyl]amino]benzoyl]amino]acetic acid
CID 119220461
4-[[2-(hexadecylamino)acetyl]amino]-N-methylbenzamide
CID 54808915

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-(propylamino)acetyl]amino]benzamide?
The IUPAC name of N-ethyl-4-[[2-(propylamino)acetyl]amino]benzamide (CID 54818586) is N-ethyl-4-[[2-(propylamino)acetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-4-[[2-(propylamino)acetyl]amino]benzamide?
The canonical SMILES for N-ethyl-4-[[2-(propylamino)acetyl]amino]benzamide is CCCNCC(=O)Nc1ccc(C(=O)NCC)cc1.
What is the InChIKey of N-ethyl-4-[[2-(propylamino)acetyl]amino]benzamide?
The InChIKey is HHACFCRPJAFPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-9-15-10-13(18)17-12-7-5-11(6-8-12)14(19)16-4-2/h5-8,15H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-ethyl-4-[[2-(propylamino)acetyl]amino]benzamide?
N-ethyl-4-[[2-(propylamino)acetyl]amino]benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[2-(propylamino)acetyl]amino]benzamide is sourced from PubChem (CID 54818586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).