(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S,2S)-2-methylcyclohexyl]amino]propanamide

C20H31N3O2 — CID 11924348

IUPAC(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S,2S)-2-methylcyclohexyl]amino]propanamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C20H31N3O2/c1-13-8-5-6-11-17(13)22-16(4)20(25)21-12-18(24)23-19-14(2)9-7-10-15(19)3/h7,9-10,13,16-17,22H,5-6,8,11-12H2,1-4H3,(H,21,25)(H,23,24)/t13-,16+,17-/m0/s1
InChIKeyUYMJVTGTRMNUMU-XKQJLSEDSA-N
MW345.49 g/mol
LogP2.91
Rot. Bonds6

About (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S,2S)-2-methylcyclohexyl]amino]propanamide

(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S,2S)-2-methylcyclohexyl]amino]propanamide (PubChem CID 11924348) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S,2S)-2-methylcyclohexyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S,2S)-2-methylcyclohexyl]amino]propanamide
PubChem CID11924348
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S,2S)-2-methylcyclohexyl]amino]propanamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C20H31N3O2/c1-13-8-5-6-11-17(13)22-16(4)20(25)21-12-18(24)23-19-14(2)9-7-10-15(19)3/h7,9-10,13,16-17,22H,5-6,8,11-12H2,1-4H3,(H,21,25)(H,23,24)/t13-,16+,17-/m0/s1
InChIKeyUYMJVTGTRMNUMU-XKQJLSEDSA-N
XLogP2.91
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S,2S)-2-methylcyclohexyl]amino]propanamide with MolForge

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Related Compounds

(2S)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 11943813
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8744449
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 9034770
[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-cyclopentylacetate
CID 51914010
(2S)-2-(1-adamantylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9358459
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 25466162
(2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride
CID 119268629
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-piperidin-1-ium-1-ylpropanamide
CID 9032781
(2R)-2-(azepan-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9032994
(2S)-2-(azepan-1-ium-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9032997
cyclooctyl-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
CID 9265308
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 17424471

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S,2S)-2-methylcyclohexyl]amino]propanamide?
The IUPAC name of (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S,2S)-2-methylcyclohexyl]amino]propanamide (CID 11924348) is (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S,2S)-2-methylcyclohexyl]amino]propanamide.
What is the SMILES notation for (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S,2S)-2-methylcyclohexyl]amino]propanamide?
The canonical SMILES for (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S,2S)-2-methylcyclohexyl]amino]propanamide is Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N[C@H]1CCCC[C@@H]1C.
What is the InChIKey of (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S,2S)-2-methylcyclohexyl]amino]propanamide?
The InChIKey is UYMJVTGTRMNUMU-XKQJLSEDSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-13-8-5-6-11-17(13)22-16(4)20(25)21-12-18(24)23-19-14(2)9-7-10-15(19)3/h7,9-10,13,16-17,22H,5-6,8,11-12H2,1-4H3,(H,21,25)(H,23,24)/t13-,16+,17-/m0/s1.
What are the key properties of (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S,2S)-2-methylcyclohexyl]amino]propanamide?
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S,2S)-2-methylcyclohexyl]amino]propanamide has a molecular weight of 345.49 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S,2S)-2-methylcyclohexyl]amino]propanamide is sourced from PubChem (CID 11924348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).