N-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide

C16H29N3O2 — CID 11934719

IUPACN-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NC(=O)CN(C)CC(=O)NC1CC1
InChIInChI=1S/C16H29N3O2/c1-11-5-4-6-14(12(11)2)18-16(21)10-19(3)9-15(20)17-13-7-8-13/h11-14H,4-10H2,1-3H3,(H,17,20)(H,18,21)/t11-,12-,14-/m1/s1
InChIKeyFORSVOKNEBXSQJ-YRGRVCCFSA-N
MW295.43 g/mol
LogP1.14
Rot. Bonds6

About N-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide

N-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 11934719) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide
PubChem CID11934719
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NC(=O)CN(C)CC(=O)NC1CC1
InChIInChI=1S/C16H29N3O2/c1-11-5-4-6-14(12(11)2)18-16(21)10-19(3)9-15(20)17-13-7-8-13/h11-14H,4-10H2,1-3H3,(H,17,20)(H,18,21)/t11-,12-,14-/m1/s1
InChIKeyFORSVOKNEBXSQJ-YRGRVCCFSA-N
XLogP1.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide with MolForge

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Related Compounds

N-(2,3-dimethylcyclohexyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 109398199
2-[(4-aminocyclohexyl)-methylamino]-N-(2,3-dimethylcyclohexyl)acetamide
CID 79113302
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 9287235
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11938604
methyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate
CID 60660214
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11935793
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11929339
5-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-5-oxopentanoic acid
CID 7317755
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9250651
2-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 43442686
4-[[[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 51227440
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 11929471

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide (CID 11934719) is N-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide is C[C@@H]1[C@H](C)CCC[C@H]1NC(=O)CN(C)CC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is FORSVOKNEBXSQJ-YRGRVCCFSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-11-5-4-6-14(12(11)2)18-16(21)10-19(3)9-15(20)17-13-7-8-13/h11-14H,4-10H2,1-3H3,(H,17,20)(H,18,21)/t11-,12-,14-/m1/s1.
What are the key properties of N-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide?
N-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 295.43 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 11934719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).