3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide

C16H25N3O2 — CID 54820981

IUPAC3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)CNC)c1
InChIInChI=1S/C16H25N3O2/c1-4-9-19(10-5-2)16(21)13-7-6-8-14(11-13)18-15(20)12-17-3/h6-8,11,17H,4-5,9-10,12H2,1-3H3,(H,18,20)
InChIKeyWUYVXYQKSCOQIV-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.11
Rot. Bonds8

About 3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide

3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide (PubChem CID 54820981) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide
PubChem CID54820981
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)CNC)c1
InChIInChI=1S/C16H25N3O2/c1-4-9-19(10-5-2)16(21)13-7-6-8-14(11-13)18-15(20)12-17-3/h6-8,11,17H,4-5,9-10,12H2,1-3H3,(H,18,20)
InChIKeyWUYVXYQKSCOQIV-UHFFFAOYSA-N
XLogP2.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(ethylamino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820598
3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810385
3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841044
N-[4-[[2-[3-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54842373
3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54823564
3-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810866
3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide
CID 26162248
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 26162321
3-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841190
3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide
CID 54835986
3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54834886

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide (CID 54820981) is 3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cccc(NC(=O)CNC)c1.
What is the InChIKey of 3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide?
The InChIKey is WUYVXYQKSCOQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-9-19(10-5-2)16(21)13-7-6-8-14(11-13)18-15(20)12-17-3/h6-8,11,17H,4-5,9-10,12H2,1-3H3,(H,18,20).
What are the key properties of 3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide?
3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide has a molecular weight of 291.40 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54820981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).