N-(2-amino-2-oxoethyl)-4-(1-ethylcyclopropyl)-N,3-dimethylbenzamide

C16H22N2O2 — CID 139420132

IUPACN-(2-amino-2-oxoethyl)-4-(1-ethylcyclopropyl)-N,3-dimethylbenzamide
SMILESCCC1(c2ccc(C(=O)N(C)CC(N)=O)cc2C)CC1
InChIInChI=1S/C16H22N2O2/c1-4-16(7-8-16)13-6-5-12(9-11(13)2)15(20)18(3)10-14(17)19/h5-6,9H,4,7-8,10H2,1-3H3,(H2,17,19)
InChIKeyBKKVNUNGSPJVMW-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.99
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-4-(1-ethylcyclopropyl)-N,3-dimethylbenzamide

N-(2-amino-2-oxoethyl)-4-(1-ethylcyclopropyl)-N,3-dimethylbenzamide (PubChem CID 139420132) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-(1-ethylcyclopropyl)-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-(1-ethylcyclopropyl)-N,3-dimethylbenzamide
PubChem CID139420132
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(2-amino-2-oxoethyl)-4-(1-ethylcyclopropyl)-N,3-dimethylbenzamide
SMILESCCC1(c2ccc(C(=O)N(C)CC(N)=O)cc2C)CC1
InChIInChI=1S/C16H22N2O2/c1-4-16(7-8-16)13-6-5-12(9-11(13)2)15(20)18(3)10-14(17)19/h5-6,9H,4,7-8,10H2,1-3H3,(H2,17,19)
InChIKeyBKKVNUNGSPJVMW-UHFFFAOYSA-N
XLogP1.99
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-(1-ethylcyclopropyl)-N,3-dimethylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-(1-ethylcyclopropyl)-N,3-dimethylbenzamide (CID 139420132) is N-(2-amino-2-oxoethyl)-4-(1-ethylcyclopropyl)-N,3-dimethylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-(1-ethylcyclopropyl)-N,3-dimethylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-(1-ethylcyclopropyl)-N,3-dimethylbenzamide is CCC1(c2ccc(C(=O)N(C)CC(N)=O)cc2C)CC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-(1-ethylcyclopropyl)-N,3-dimethylbenzamide?
The InChIKey is BKKVNUNGSPJVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-16(7-8-16)13-6-5-12(9-11(13)2)15(20)18(3)10-14(17)19/h5-6,9H,4,7-8,10H2,1-3H3,(H2,17,19).
What are the key properties of N-(2-amino-2-oxoethyl)-4-(1-ethylcyclopropyl)-N,3-dimethylbenzamide?
N-(2-amino-2-oxoethyl)-4-(1-ethylcyclopropyl)-N,3-dimethylbenzamide has a molecular weight of 274.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-(1-ethylcyclopropyl)-N,3-dimethylbenzamide is sourced from PubChem (CID 139420132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).