N-butyl-3-[[2-(heptylamino)acetyl]amino]benzamide

C20H33N3O2 — CID 54814616

IUPACN-butyl-3-[[2-(heptylamino)acetyl]amino]benzamide
SMILESCCCCCCCNCC(=O)Nc1cccc(C(=O)NCCCC)c1
InChIInChI=1S/C20H33N3O2/c1-3-5-7-8-9-13-21-16-19(24)23-18-12-10-11-17(15-18)20(25)22-14-6-4-2/h10-12,15,21H,3-9,13-14,16H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyYZBSNJRLJPVQTO-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.71
Rot. Bonds13

About N-butyl-3-[[2-(heptylamino)acetyl]amino]benzamide

N-butyl-3-[[2-(heptylamino)acetyl]amino]benzamide (PubChem CID 54814616) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-butyl-3-[[2-(heptylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-3-[[2-(heptylamino)acetyl]amino]benzamide
PubChem CID54814616
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-butyl-3-[[2-(heptylamino)acetyl]amino]benzamide
SMILESCCCCCCCNCC(=O)Nc1cccc(C(=O)NCCCC)c1
InChIInChI=1S/C20H33N3O2/c1-3-5-7-8-9-13-21-16-19(24)23-18-12-10-11-17(15-18)20(25)22-14-6-4-2/h10-12,15,21H,3-9,13-14,16H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyYZBSNJRLJPVQTO-UHFFFAOYSA-N
XLogP3.71
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.71
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

3-[[2-(hexadecylamino)acetyl]amino]-N-propylbenzamide
CID 54808714
N-butyl-3-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820705
N-butyl-3-(heptanoylamino)benzamide
CID 54789148
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
N-[3-[[2-(butylamino)acetyl]amino]phenyl]benzamide
CID 54815494
N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810805
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839900
N-butyl-3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]benzamide
CID 54832394
3-[[2-(butylamino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54815739
N-(3-chlorophenyl)-2-(octylamino)acetamide
CID 78914396
N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[[2-(heptylamino)acetyl]amino]benzamide?
The IUPAC name of N-butyl-3-[[2-(heptylamino)acetyl]amino]benzamide (CID 54814616) is N-butyl-3-[[2-(heptylamino)acetyl]amino]benzamide.
What is the SMILES notation for N-butyl-3-[[2-(heptylamino)acetyl]amino]benzamide?
The canonical SMILES for N-butyl-3-[[2-(heptylamino)acetyl]amino]benzamide is CCCCCCCNCC(=O)Nc1cccc(C(=O)NCCCC)c1.
What is the InChIKey of N-butyl-3-[[2-(heptylamino)acetyl]amino]benzamide?
The InChIKey is YZBSNJRLJPVQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-3-5-7-8-9-13-21-16-19(24)23-18-12-10-11-17(15-18)20(25)22-14-6-4-2/h10-12,15,21H,3-9,13-14,16H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-butyl-3-[[2-(heptylamino)acetyl]amino]benzamide?
N-butyl-3-[[2-(heptylamino)acetyl]amino]benzamide has a molecular weight of 347.50 g/mol, XLogP of 3.71, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[[2-(heptylamino)acetyl]amino]benzamide is sourced from PubChem (CID 54814616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).