3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylbenzamide

C14H19N3O2 — CID 54925416

IUPAC3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylbenzamide
SMILESCc1c(NC(=O)CNCC2CC2)cccc1C(N)=O
InChIInChI=1S/C14H19N3O2/c1-9-11(14(15)19)3-2-4-12(9)17-13(18)8-16-7-10-5-6-10/h2-4,10,16H,5-8H2,1H3,(H2,15,19)(H,17,18)
InChIKeyNWJQDYWRLMPNEO-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.03
Rot. Bonds6

About 3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylbenzamide

3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylbenzamide (PubChem CID 54925416) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylbenzamide
PubChem CID54925416
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylbenzamide
SMILESCc1c(NC(=O)CNCC2CC2)cccc1C(N)=O
InChIInChI=1S/C14H19N3O2/c1-9-11(14(15)19)3-2-4-12(9)17-13(18)8-16-7-10-5-6-10/h2-4,10,16H,5-8H2,1H3,(H2,15,19)(H,17,18)
InChIKeyNWJQDYWRLMPNEO-UHFFFAOYSA-N
XLogP1.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylbenzamide?
The IUPAC name of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylbenzamide (CID 54925416) is 3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylbenzamide.
What is the SMILES notation for 3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylbenzamide?
The canonical SMILES for 3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylbenzamide is Cc1c(NC(=O)CNCC2CC2)cccc1C(N)=O.
What is the InChIKey of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylbenzamide?
The InChIKey is NWJQDYWRLMPNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-11(14(15)19)3-2-4-12(9)17-13(18)8-16-7-10-5-6-10/h2-4,10,16H,5-8H2,1H3,(H2,15,19)(H,17,18).
What are the key properties of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylbenzamide?
3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylbenzamide has a molecular weight of 261.32 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylbenzamide is sourced from PubChem (CID 54925416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).