8-[(3-chlorophenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide

C22H29ClN4O3 — CID 162983100

IUPAC8-[(3-chlorophenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
SMILESCc1cc(CNC(=O)C2CCCC(NCc3cccc(Cl)c3)CN(C)C(=O)C2)no1
InChIInChI=1S/C22H29ClN4O3/c1-15-9-20(26-30-15)13-25-22(29)17-6-4-8-19(14-27(2)21(28)11-17)24-12-16-5-3-7-18(23)10-16/h3,5,7,9-10,17,19,24H,4,6,8,11-14H2,1-2H3,(H,25,29)
InChIKeyBEMARWLTVWZRPP-UHFFFAOYSA-N
MW432.95 g/mol
LogP3.06
Rot. Bonds6

About 8-[(3-chlorophenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide

8-[(3-chlorophenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide (PubChem CID 162983100) has the molecular formula C22H29ClN4O3 and a molecular weight of 432.95 g/mol. Its IUPAC name is 8-[(3-chlorophenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide.

Molecular Properties

Compound Name8-[(3-chlorophenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
PubChem CID162983100
Molecular FormulaC22H29ClN4O3
Molecular Weight432.95 g/mol
Exact Mass432.19
IUPAC Name8-[(3-chlorophenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
SMILESCc1cc(CNC(=O)C2CCCC(NCc3cccc(Cl)c3)CN(C)C(=O)C2)no1
InChIInChI=1S/C22H29ClN4O3/c1-15-9-20(26-30-15)13-25-22(29)17-6-4-8-19(14-27(2)21(28)11-17)24-12-16-5-3-7-18(23)10-16/h3,5,7,9-10,17,19,24H,4,6,8,11-14H2,1-2H3,(H,25,29)
InChIKeyBEMARWLTVWZRPP-UHFFFAOYSA-N
XLogP3.06
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-[(3-chlorophenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide with MolForge

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Related Compounds

(4R,8R)-8-[(3-methoxyphenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
CID 75411872
8-[(3-methoxyphenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
CID 162798658
(4R,8R)-8-[(3-chlorophenyl)methylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
CID 75411811
(4R,8R)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(2-methylpropylsulfonylamino)-2-oxoazonane-4-carboxamide
CID 86770831
8-[(4-cyanobenzoyl)amino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
CID 162869586
(4R,8R)-N-[(3,5-difluorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxoazonane-4-carboxamide
CID 75411890
(4R,8R)-8-(cyclopropylmethylamino)-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide
CID 75411891
8-[(4-fluorophenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide
CID 162873431
3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783675
(4R,8R)-8-[(4-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide
CID 75411880
N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine
CID 61210462
N,N-diethyl-1-methyl-2-oxo-8-(pyridin-3-ylmethylamino)azonane-4-carboxamide
CID 162798076

Frequently Asked Questions

What is the IUPAC name of 8-[(3-chlorophenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide?
The IUPAC name of 8-[(3-chlorophenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide (CID 162983100) is 8-[(3-chlorophenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide.
What is the SMILES notation for 8-[(3-chlorophenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide?
The canonical SMILES for 8-[(3-chlorophenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide is Cc1cc(CNC(=O)C2CCCC(NCc3cccc(Cl)c3)CN(C)C(=O)C2)no1.
What is the InChIKey of 8-[(3-chlorophenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide?
The InChIKey is BEMARWLTVWZRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4O3/c1-15-9-20(26-30-15)13-25-22(29)17-6-4-8-19(14-27(2)21(28)11-17)24-12-16-5-3-7-18(23)10-16/h3,5,7,9-10,17,19,24H,4,6,8,11-14H2,1-2H3,(H,25,29).
What are the key properties of 8-[(3-chlorophenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide?
8-[(3-chlorophenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide has a molecular weight of 432.95 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-chlorophenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide is sourced from PubChem (CID 162983100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).