2-[3-(ethylamino)propylamino]benzamide

C12H19N3O — CID 61020118

IUPAC2-[3-(ethylamino)propylamino]benzamide
SMILESCCNCCCNc1ccccc1C(N)=O
InChIInChI=1S/C12H19N3O/c1-2-14-8-5-9-15-11-7-4-3-6-10(11)12(13)16/h3-4,6-7,14-15H,2,5,8-9H2,1H3,(H2,13,16)
InChIKeyRBLNBDSIQDETPD-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.20
Rot. Bonds7

About 2-[3-(ethylamino)propylamino]benzamide

2-[3-(ethylamino)propylamino]benzamide (PubChem CID 61020118) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[3-(ethylamino)propylamino]benzamide.

Molecular Properties

Compound Name2-[3-(ethylamino)propylamino]benzamide
PubChem CID61020118
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[3-(ethylamino)propylamino]benzamide
SMILESCCNCCCNc1ccccc1C(N)=O
InChIInChI=1S/C12H19N3O/c1-2-14-8-5-9-15-11-7-4-3-6-10(11)12(13)16/h3-4,6-7,14-15H,2,5,8-9H2,1H3,(H2,13,16)
InChIKeyRBLNBDSIQDETPD-UHFFFAOYSA-N
XLogP1.20
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.20
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

2-[[2-(ethylamino)benzoyl]amino]benzamide
CID 63107722
3-(2-carbamoylanilino)propanoate
CID 40564413
2-[2-(ethylamino)ethyl]benzamide
CID 70462261
2-hydroxy-3-(pentylamino)benzamide
CID 67175041
2-(2-propan-2-yloxyethylamino)benzamide
CID 141361883
4-[3-(ethylamino)propylamino]-3-fluorobenzamide
CID 54906629
2-(cyanomethylamino)benzamide
CID 3086271
2-[(2-amino-2-ethylbutyl)amino]benzamide
CID 113283240
3-(heptylamino)-2-methylbenzamide
CID 43694125
2-[3-(ethylamino)propylamino]-5-methylbenzoic acid
CID 55082979
N-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide
CID 54907058
2-amino-3-(3-methylsulfonylpropylamino)benzamide
CID 115545630

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)propylamino]benzamide?
The IUPAC name of 2-[3-(ethylamino)propylamino]benzamide (CID 61020118) is 2-[3-(ethylamino)propylamino]benzamide.
What is the SMILES notation for 2-[3-(ethylamino)propylamino]benzamide?
The canonical SMILES for 2-[3-(ethylamino)propylamino]benzamide is CCNCCCNc1ccccc1C(N)=O.
What is the InChIKey of 2-[3-(ethylamino)propylamino]benzamide?
The InChIKey is RBLNBDSIQDETPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-14-8-5-9-15-11-7-4-3-6-10(11)12(13)16/h3-4,6-7,14-15H,2,5,8-9H2,1H3,(H2,13,16).
What are the key properties of 2-[3-(ethylamino)propylamino]benzamide?
2-[3-(ethylamino)propylamino]benzamide has a molecular weight of 221.30 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)propylamino]benzamide is sourced from PubChem (CID 61020118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).