2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethoxy]benzamide

C18H25N3O4 — CID 11921212

IUPAC2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethoxy]benzamide
SMILESC[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)NC(=O)COc1ccccc1C(N)=O
InChIInChI=1S/C18H25N3O4/c1-11-6-5-8-14(12(11)2)20-18(24)21-16(22)10-25-15-9-4-3-7-13(15)17(19)23/h3-4,7,9,11-12,14H,5-6,8,10H2,1-2H3,(H2,19,23)(H2,20,21,22,24)/t11-,12+,14+/m0/s1
InChIKeyUVWZQHSVYGJYPE-OUCADQQQSA-N
MW347.42 g/mol
LogP1.81
Rot. Bonds5

About 2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethoxy]benzamide

2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethoxy]benzamide (PubChem CID 11921212) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethoxy]benzamide
PubChem CID11921212
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethoxy]benzamide
SMILESC[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)NC(=O)COc1ccccc1C(N)=O
InChIInChI=1S/C18H25N3O4/c1-11-6-5-8-14(12(11)2)20-18(24)21-16(22)10-25-15-9-4-3-7-13(15)17(19)23/h3-4,7,9,11-12,14H,5-6,8,10H2,1-2H3,(H2,19,23)(H2,20,21,22,24)/t11-,12+,14+/m0/s1
InChIKeyUVWZQHSVYGJYPE-OUCADQQQSA-N
XLogP1.81
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate
CID 11924557
[(2R)-1-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(2-carbamoylphenoxy)acetate
CID 11924556
5-chloro-2-[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]benzamide
CID 9362464
5-chloro-2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]benzamide
CID 11939659
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-naphthalen-1-yloxyacetamide
CID 11917810
[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-hydroxybenzoate
CID 7798258
2-(2-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 6601783
1-[[2-(2-chlorophenoxy)acetyl]amino]-3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]thiourea
CID 11946461
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7377024
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethyl] 3-methylbenzoate
CID 31227624
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 9467892
[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 7867736

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethoxy]benzamide (CID 11921212) is 2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethoxy]benzamide is C[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)NC(=O)COc1ccccc1C(N)=O.
What is the InChIKey of 2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethoxy]benzamide?
The InChIKey is UVWZQHSVYGJYPE-OUCADQQQSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-11-6-5-8-14(12(11)2)20-18(24)21-16(22)10-25-15-9-4-3-7-13(15)17(19)23/h3-4,7,9,11-12,14H,5-6,8,10H2,1-2H3,(H2,19,23)(H2,20,21,22,24)/t11-,12+,14+/m0/s1.
What are the key properties of 2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethoxy]benzamide?
2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethoxy]benzamide has a molecular weight of 347.42 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 11921212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).