N,N-dimethyl-2-[methyl-[1-[2,5,5-trimethyl-7-[[(3S)-oxolan-3-yl]amino]heptan-2-yl]piperidin-4-yl]amino]acetamide

C24H48N4O2 — CID 126724832

IUPACN,N-dimethyl-2-[methyl-[1-[2,5,5-trimethyl-7-[[(3S)-oxolan-3-yl]amino]heptan-2-yl]piperidin-4-yl]amino]acetamide
SMILESCN(C)C(=O)CN(C)C1CCN(C(C)(C)CCC(C)(C)CCN[C@H]2CCOC2)CC1
InChIInChI=1S/C24H48N4O2/c1-23(2,13-14-25-20-10-17-30-19-20)11-12-24(3,4)28-15-8-21(9-16-28)27(7)18-22(29)26(5)6/h20-21,25H,8-19H2,1-7H3/t20-/m0/s1
InChIKeyQQLRHZUZZTVIEU-FQEVSTJZSA-N
MW424.67 g/mol
LogP2.82
Rot. Bonds11

About N,N-dimethyl-2-[methyl-[1-[2,5,5-trimethyl-7-[[(3S)-oxolan-3-yl]amino]heptan-2-yl]piperidin-4-yl]amino]acetamide

N,N-dimethyl-2-[methyl-[1-[2,5,5-trimethyl-7-[[(3S)-oxolan-3-yl]amino]heptan-2-yl]piperidin-4-yl]amino]acetamide (PubChem CID 126724832) has the molecular formula C24H48N4O2 and a molecular weight of 424.67 g/mol. Its IUPAC name is N,N-dimethyl-2-[methyl-[1-[2,5,5-trimethyl-7-[[(3S)-oxolan-3-yl]amino]heptan-2-yl]piperidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[methyl-[1-[2,5,5-trimethyl-7-[[(3S)-oxolan-3-yl]amino]heptan-2-yl]piperidin-4-yl]amino]acetamide
PubChem CID126724832
Molecular FormulaC24H48N4O2
Molecular Weight424.67 g/mol
Exact Mass424.38
IUPAC NameN,N-dimethyl-2-[methyl-[1-[2,5,5-trimethyl-7-[[(3S)-oxolan-3-yl]amino]heptan-2-yl]piperidin-4-yl]amino]acetamide
SMILESCN(C)C(=O)CN(C)C1CCN(C(C)(C)CCC(C)(C)CCN[C@H]2CCOC2)CC1
InChIInChI=1S/C24H48N4O2/c1-23(2,13-14-25-20-10-17-30-19-20)11-12-24(3,4)28-15-8-21(9-16-28)27(7)18-22(29)26(5)6/h20-21,25H,8-19H2,1-7H3/t20-/m0/s1
InChIKeyQQLRHZUZZTVIEU-FQEVSTJZSA-N
XLogP2.82
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.67
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[methyl-[1-[2,5,5-trimethyl-7-[[(3S)-oxolan-3-yl]amino]heptan-2-yl]piperidin-4-yl]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[methyl-[1-[2,5,5-trimethyl-7-[[(3S)-oxolan-3-yl]amino]heptan-2-yl]piperidin-4-yl]amino]acetamide (CID 126724832) is N,N-dimethyl-2-[methyl-[1-[2,5,5-trimethyl-7-[[(3S)-oxolan-3-yl]amino]heptan-2-yl]piperidin-4-yl]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[methyl-[1-[2,5,5-trimethyl-7-[[(3S)-oxolan-3-yl]amino]heptan-2-yl]piperidin-4-yl]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[methyl-[1-[2,5,5-trimethyl-7-[[(3S)-oxolan-3-yl]amino]heptan-2-yl]piperidin-4-yl]amino]acetamide is CN(C)C(=O)CN(C)C1CCN(C(C)(C)CCC(C)(C)CCN[C@H]2CCOC2)CC1.
What is the InChIKey of N,N-dimethyl-2-[methyl-[1-[2,5,5-trimethyl-7-[[(3S)-oxolan-3-yl]amino]heptan-2-yl]piperidin-4-yl]amino]acetamide?
The InChIKey is QQLRHZUZZTVIEU-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H48N4O2/c1-23(2,13-14-25-20-10-17-30-19-20)11-12-24(3,4)28-15-8-21(9-16-28)27(7)18-22(29)26(5)6/h20-21,25H,8-19H2,1-7H3/t20-/m0/s1.
What are the key properties of N,N-dimethyl-2-[methyl-[1-[2,5,5-trimethyl-7-[[(3S)-oxolan-3-yl]amino]heptan-2-yl]piperidin-4-yl]amino]acetamide?
N,N-dimethyl-2-[methyl-[1-[2,5,5-trimethyl-7-[[(3S)-oxolan-3-yl]amino]heptan-2-yl]piperidin-4-yl]amino]acetamide has a molecular weight of 424.67 g/mol, XLogP of 2.82, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[methyl-[1-[2,5,5-trimethyl-7-[[(3S)-oxolan-3-yl]amino]heptan-2-yl]piperidin-4-yl]amino]acetamide is sourced from PubChem (CID 126724832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).