(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide

C20H33N5O3 — CID 75411882

IUPAC(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide
SMILESCN1C[C@H](NCc2nccn2C)CCC[C@@H](C(=O)NC2CCOCC2)CC1=O
InChIInChI=1S/C20H33N5O3/c1-24-9-8-21-18(24)13-22-17-5-3-4-15(12-19(26)25(2)14-17)20(27)23-16-6-10-28-11-7-16/h8-9,15-17,22H,3-7,10-14H2,1-2H3,(H,23,27)/t15-,17-/m1/s1
InChIKeyUGNNBSMXVCTTOZ-NVXWUHKLSA-N
MW391.52 g/mol
LogP0.82
Rot. Bonds5

About (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide

(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide (PubChem CID 75411882) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide.

Molecular Properties

Compound Name(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide
PubChem CID75411882
Molecular FormulaC20H33N5O3
Molecular Weight391.52 g/mol
Exact Mass391.26
IUPAC Name(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide
SMILESCN1C[C@H](NCc2nccn2C)CCC[C@@H](C(=O)NC2CCOCC2)CC1=O
InChIInChI=1S/C20H33N5O3/c1-24-9-8-21-18(24)13-22-17-5-3-4-15(12-19(26)25(2)14-17)20(27)23-16-6-10-28-11-7-16/h8-9,15-17,22H,3-7,10-14H2,1-2H3,(H,23,27)/t15-,17-/m1/s1
InChIKeyUGNNBSMXVCTTOZ-NVXWUHKLSA-N
XLogP0.82
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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3-(2-methyl-1H-imidazol-1-yl)-N-[rel-(3R,4S)-4-propyl-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]propanamide dihydrochloride
CID 72904742
(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-4-(4-methylpiperazine-1-carbonyl)azonan-2-one
CID 75411796
(4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide
CID 75411808
(4R,8R)-N,N-diethyl-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide
CID 75411825
(4R,8R)-N-(2-methoxyethyl)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide
CID 75411836
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CID 148002397

Frequently Asked Questions

What is the IUPAC name of (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide?
The IUPAC name of (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide (CID 75411882) is (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide.
What is the SMILES notation for (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide?
The canonical SMILES for (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide is CN1C[C@H](NCc2nccn2C)CCC[C@@H](C(=O)NC2CCOCC2)CC1=O.
What is the InChIKey of (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide?
The InChIKey is UGNNBSMXVCTTOZ-NVXWUHKLSA-N. The full InChI is InChI=1S/C20H33N5O3/c1-24-9-8-21-18(24)13-22-17-5-3-4-15(12-19(26)25(2)14-17)20(27)23-16-6-10-28-11-7-16/h8-9,15-17,22H,3-7,10-14H2,1-2H3,(H,23,27)/t15-,17-/m1/s1.
What are the key properties of (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide?
(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide is sourced from PubChem (CID 75411882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).