2,2-dimethyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]propanamide

C15H29N3O3 — CID 95573643

IUPAC2,2-dimethyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]propanamide
SMILESC[C@@H]1CCCC[C@H]1OCCNC(=O)NCC(C)(C)C(N)=O
InChIInChI=1S/C15H29N3O3/c1-11-6-4-5-7-12(11)21-9-8-17-14(20)18-10-15(2,3)13(16)19/h11-12H,4-10H2,1-3H3,(H2,16,19)(H2,17,18,20)/t11-,12-/m1/s1
InChIKeyGVXFYMVUPHZJQO-VXGBXAGGSA-N
MW299.41 g/mol
LogP1.39
Rot. Bonds7

About 2,2-dimethyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]propanamide

2,2-dimethyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]propanamide (PubChem CID 95573643) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]propanamide
PubChem CID95573643
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name2,2-dimethyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]propanamide
SMILESC[C@@H]1CCCC[C@H]1OCCNC(=O)NCC(C)(C)C(N)=O
InChIInChI=1S/C15H29N3O3/c1-11-6-4-5-7-12(11)21-9-8-17-14(20)18-10-15(2,3)13(16)19/h11-12H,4-10H2,1-3H3,(H2,16,19)(H2,17,18,20)/t11-,12-/m1/s1
InChIKeyGVXFYMVUPHZJQO-VXGBXAGGSA-N
XLogP1.39
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-cyclohexyloxypropylcarbamoylamino)-2,2-dimethylpropanamide
CID 56814193
3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropanamide
CID 106275908
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butanamide;hydrochloride
CID 119723107
1-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-3-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]urea
CID 99846542
1-[2-(2-methylcyclohexyl)oxyethyl]-3-(5-methylhexan-2-yl)urea
CID 112828680
1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea
CID 47034652
N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
CID 52657660
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
CID 52657662
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]urea
CID 97319331
4-[2-(2-methylcyclohexyl)oxyethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672702
3-amino-N-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxamide
CID 119723094
1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 94028897

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]propanamide?
The IUPAC name of 2,2-dimethyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]propanamide (CID 95573643) is 2,2-dimethyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]propanamide is C[C@@H]1CCCC[C@H]1OCCNC(=O)NCC(C)(C)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]propanamide?
The InChIKey is GVXFYMVUPHZJQO-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-11-6-4-5-7-12(11)21-9-8-17-14(20)18-10-15(2,3)13(16)19/h11-12H,4-10H2,1-3H3,(H2,16,19)(H2,17,18,20)/t11-,12-/m1/s1.
What are the key properties of 2,2-dimethyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]propanamide?
2,2-dimethyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]propanamide has a molecular weight of 299.41 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]propanamide is sourced from PubChem (CID 95573643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).