N-[3-[(1-hydroxycyclohexyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide

C15H28N2O3 — CID 64865915

IUPACN-[3-[(1-hydroxycyclohexyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C15H28N2O3/c1-14(2,3)13(19)16-10-7-12(18)17-11-15(20)8-5-4-6-9-15/h20H,4-11H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyYABFHVFOKDNOES-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.35
Rot. Bonds5

About N-[3-[(1-hydroxycyclohexyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-[(1-hydroxycyclohexyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 64865915) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[3-[(1-hydroxycyclohexyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[(1-hydroxycyclohexyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID64865915
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC NameN-[3-[(1-hydroxycyclohexyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C15H28N2O3/c1-14(2,3)13(19)16-10-7-12(18)17-11-15(20)8-5-4-6-9-15/h20H,4-11H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyYABFHVFOKDNOES-UHFFFAOYSA-N
XLogP1.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-hydroxycyclohexyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[(1-hydroxycyclohexyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide (CID 64865915) is N-[3-[(1-hydroxycyclohexyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[(1-hydroxycyclohexyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[(1-hydroxycyclohexyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCC(=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[3-[(1-hydroxycyclohexyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is YABFHVFOKDNOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-14(2,3)13(19)16-10-7-12(18)17-11-15(20)8-5-4-6-9-15/h20H,4-11H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-[(1-hydroxycyclohexyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-[(1-hydroxycyclohexyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 284.40 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-hydroxycyclohexyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 64865915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).