N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]amino]acetamide

C22H28ClN3O3 — CID 9348008

IUPACN-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]amino]acetamide
SMILESCCC[C@@H](NC(=O)CN(C)CC(=O)Nc1cc(Cl)ccc1OC)c1ccccc1
InChIInChI=1S/C22H28ClN3O3/c1-4-8-18(16-9-6-5-7-10-16)24-21(27)14-26(2)15-22(28)25-19-13-17(23)11-12-20(19)29-3/h5-7,9-13,18H,4,8,14-15H2,1-3H3,(H,24,27)(H,25,28)/t18-/m1/s1
InChIKeyMDZGDNHPVTYFPV-GOSISDBHSA-N
MW417.94 g/mol
LogP3.88
Rot. Bonds10

About N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]amino]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]amino]acetamide (PubChem CID 9348008) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]amino]acetamide
PubChem CID9348008
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]amino]acetamide
SMILESCCC[C@@H](NC(=O)CN(C)CC(=O)Nc1cc(Cl)ccc1OC)c1ccccc1
InChIInChI=1S/C22H28ClN3O3/c1-4-8-18(16-9-6-5-7-10-16)24-21(27)14-26(2)15-22(28)25-19-13-17(23)11-12-20(19)29-3/h5-7,9-13,18H,4,8,14-15H2,1-3H3,(H,24,27)(H,25,28)/t18-/m1/s1
InChIKeyMDZGDNHPVTYFPV-GOSISDBHSA-N
XLogP3.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]amino]acetamide with MolForge

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Related Compounds

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2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)acetamide
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N-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide
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2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
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2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]amino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]amino]acetamide (CID 9348008) is N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]amino]acetamide is CCC[C@@H](NC(=O)CN(C)CC(=O)Nc1cc(Cl)ccc1OC)c1ccccc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]amino]acetamide?
The InChIKey is MDZGDNHPVTYFPV-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28ClN3O3/c1-4-8-18(16-9-6-5-7-10-16)24-21(27)14-26(2)15-22(28)25-19-13-17(23)11-12-20(19)29-3/h5-7,9-13,18H,4,8,14-15H2,1-3H3,(H,24,27)(H,25,28)/t18-/m1/s1.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]amino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]amino]acetamide has a molecular weight of 417.94 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]amino]acetamide is sourced from PubChem (CID 9348008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).