3-[[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]carbamoylamino]-N,N-dimethylpropanamide

C17H27N3O2 — CID 95930302

IUPAC3-[[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]carbamoylamino]-N,N-dimethylpropanamide
SMILESCc1cc(C)cc(C[C@@H](C)NC(=O)NCCC(=O)N(C)C)c1
InChIInChI=1S/C17H27N3O2/c1-12-8-13(2)10-15(9-12)11-14(3)19-17(22)18-7-6-16(21)20(4)5/h8-10,14H,6-7,11H2,1-5H3,(H2,18,19,22)/t14-/m1/s1
InChIKeyMFEMKYLHDIHWKO-CQSZACIVSA-N
MW305.42 g/mol
LogP2.01
Rot. Bonds6

About 3-[[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]carbamoylamino]-N,N-dimethylpropanamide

3-[[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]carbamoylamino]-N,N-dimethylpropanamide (PubChem CID 95930302) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-[[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]carbamoylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]carbamoylamino]-N,N-dimethylpropanamide
PubChem CID95930302
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-[[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]carbamoylamino]-N,N-dimethylpropanamide
SMILESCc1cc(C)cc(C[C@@H](C)NC(=O)NCCC(=O)N(C)C)c1
InChIInChI=1S/C17H27N3O2/c1-12-8-13(2)10-15(9-12)11-14(3)19-17(22)18-7-6-16(21)20(4)5/h8-10,14H,6-7,11H2,1-5H3,(H2,18,19,22)/t14-/m1/s1
InChIKeyMFEMKYLHDIHWKO-CQSZACIVSA-N
XLogP2.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]carbamoylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]carbamoylamino]-N,N-dimethylpropanamide (CID 95930302) is 3-[[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]carbamoylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]carbamoylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]carbamoylamino]-N,N-dimethylpropanamide is Cc1cc(C)cc(C[C@@H](C)NC(=O)NCCC(=O)N(C)C)c1.
What is the InChIKey of 3-[[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]carbamoylamino]-N,N-dimethylpropanamide?
The InChIKey is MFEMKYLHDIHWKO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12-8-13(2)10-15(9-12)11-14(3)19-17(22)18-7-6-16(21)20(4)5/h8-10,14H,6-7,11H2,1-5H3,(H2,18,19,22)/t14-/m1/s1.
What are the key properties of 3-[[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]carbamoylamino]-N,N-dimethylpropanamide?
3-[[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]carbamoylamino]-N,N-dimethylpropanamide has a molecular weight of 305.42 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]carbamoylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 95930302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).