4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide

C17H20N4O2 — CID 3100251

IUPAC4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide
SMILESCC(CNC(=O)c1ccc(N)cc1)NC(=O)c1ccc(N)cc1
InChIInChI=1S/C17H20N4O2/c1-11(21-17(23)13-4-8-15(19)9-5-13)10-20-16(22)12-2-6-14(18)7-3-12/h2-9,11H,10,18-19H2,1H3,(H,20,22)(H,21,23)
InChIKeyWTGVPDIDMMMCKK-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.40
Rot. Bonds5

About 4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide

4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide (PubChem CID 3100251) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide
PubChem CID3100251
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide
SMILESCC(CNC(=O)c1ccc(N)cc1)NC(=O)c1ccc(N)cc1
InChIInChI=1S/C17H20N4O2/c1-11(21-17(23)13-4-8-15(19)9-5-13)10-20-16(22)12-2-6-14(18)7-3-12/h2-9,11H,10,18-19H2,1H3,(H,20,22)(H,21,23)
InChIKeyWTGVPDIDMMMCKK-UHFFFAOYSA-N
XLogP1.40
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-aminopropyl)benzamide
CID 130891998
4-amino-N-butan-2-ylbenzamide
CID 3503917
4-phenyl-N-[2-[(4-phenylbenzoyl)amino]propyl]benzamide
CID 3732499
4-amino-N-(2-methylbutyl)benzamide
CID 22242294
4-nitro-N-[(2S)-2-[(4-nitrobenzoyl)amino]propyl]benzamide
CID 7040519
4-amino-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 54963307
4-amino-N-propan-2-ylbenzamide;ethane
CID 144913195
3-[[(4-aminobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65493934
4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide
CID 83177077
3-iodo-N-[2-[(3-iodo-4-methylbenzoyl)amino]propyl]-4-methylbenzamide
CID 4531308
4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694
4-amino-N-(3-ethylpentan-2-yl)benzamide
CID 55261321

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide?
The IUPAC name of 4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide (CID 3100251) is 4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide?
The canonical SMILES for 4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide is CC(CNC(=O)c1ccc(N)cc1)NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide?
The InChIKey is WTGVPDIDMMMCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11(21-17(23)13-4-8-15(19)9-5-13)10-20-16(22)12-2-6-14(18)7-3-12/h2-9,11H,10,18-19H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide?
4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide is sourced from PubChem (CID 3100251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).