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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Related Compounds

4-(1-ethylcyclopropyl)-N,3-dimethyl-N-propylbenzamide
CID 139420413
4-(1-ethylcyclopropyl)-N-(2-hydroxyethyl)-N,3-dimethylbenzamide
CID 139420078
N-(2-amino-2-oxoethyl)-3-bromo-N,4-dimethylbenzamide
CID 79466936
N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 47210225
4-[(2-amino-2-oxoethyl)-methylcarbamoyl]benzoic acid
CID 43452627
4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide
CID 43373883
N-(2-amino-2-oxoethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614582
2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid
CID 16772669
N-(2-amino-2-oxoethyl)-3-fluoro-N-methylbenzamide
CID 47210213
N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide
CID 47210346
4-amino-N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43374613
(E)-3-[4-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]prop-2-enoic acid
CID 109375129

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).