3-[(2-azulen-1-ylacetyl)amino]-N-propylbenzamide

C22H22N2O2 — CID 139996501

IUPAC3-[(2-azulen-1-ylacetyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)Cc2ccc3cccccc2-3)c1
InChIInChI=1S/C22H22N2O2/c1-2-13-23-22(26)18-8-6-9-19(14-18)24-21(25)15-17-12-11-16-7-4-3-5-10-20(16)17/h3-12,14H,2,13,15H2,1H3,(H,23,26)(H,24,25)
InChIKeyNKUWVUZEEXEKKP-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.11
Rot. Bonds6

About 3-[(2-azulen-1-ylacetyl)amino]-N-propylbenzamide

3-[(2-azulen-1-ylacetyl)amino]-N-propylbenzamide (PubChem CID 139996501) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[(2-azulen-1-ylacetyl)amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(2-azulen-1-ylacetyl)amino]-N-propylbenzamide
PubChem CID139996501
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name3-[(2-azulen-1-ylacetyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)Cc2ccc3cccccc2-3)c1
InChIInChI=1S/C22H22N2O2/c1-2-13-23-22(26)18-8-6-9-19(14-18)24-21(25)15-17-12-11-16-7-4-3-5-10-20(16)17/h3-12,14H,2,13,15H2,1H3,(H,23,26)(H,24,25)
InChIKeyNKUWVUZEEXEKKP-UHFFFAOYSA-N
XLogP4.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride
CID 119283116
3-[[2-(4-methoxyphenyl)acetyl]amino]-N-propylbenzamide
CID 17222629
3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propylbenzamide
CID 54832679
N-methyl-3-[[2-(5-propan-2-ylazulen-1-yl)acetyl]amino]benzamide
CID 139996495
3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
3-[(2-hydroxy-2-phenylacetyl)amino]-N-propylbenzamide
CID 111536692
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
3-[[2-(2-fluoroanilino)acetyl]amino]-N-propylbenzamide
CID 54818247
3-[[2-(hexadecylamino)acetyl]amino]-N-propylbenzamide
CID 54808714
3-(ethylamino)-N-propylbenzamide
CID 43676038
3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838924
N-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-phenylbenzamide
CID 70144629

Frequently Asked Questions

What is the IUPAC name of 3-[(2-azulen-1-ylacetyl)amino]-N-propylbenzamide?
The IUPAC name of 3-[(2-azulen-1-ylacetyl)amino]-N-propylbenzamide (CID 139996501) is 3-[(2-azulen-1-ylacetyl)amino]-N-propylbenzamide.
What is the SMILES notation for 3-[(2-azulen-1-ylacetyl)amino]-N-propylbenzamide?
The canonical SMILES for 3-[(2-azulen-1-ylacetyl)amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NC(=O)Cc2ccc3cccccc2-3)c1.
What is the InChIKey of 3-[(2-azulen-1-ylacetyl)amino]-N-propylbenzamide?
The InChIKey is NKUWVUZEEXEKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-2-13-23-22(26)18-8-6-9-19(14-18)24-21(25)15-17-12-11-16-7-4-3-5-10-20(16)17/h3-12,14H,2,13,15H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-[(2-azulen-1-ylacetyl)amino]-N-propylbenzamide?
3-[(2-azulen-1-ylacetyl)amino]-N-propylbenzamide has a molecular weight of 346.43 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-azulen-1-ylacetyl)amino]-N-propylbenzamide is sourced from PubChem (CID 139996501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).