N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide

C18H29ClN2O2 — CID 112841991

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
SMILESCOc1ccc(Cl)cc1CNC(=O)CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C18H29ClN2O2/c1-17(2,3)12-18(4,5)21-11-16(22)20-10-13-9-14(19)7-8-15(13)23-6/h7-9,21H,10-12H2,1-6H3,(H,20,22)
InChIKeyYRYQOFCNBLOINM-UHFFFAOYSA-N
MW340.90 g/mol
LogP3.77
Rot. Bonds7

About N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide

N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide (PubChem CID 112841991) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
PubChem CID112841991
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
SMILESCOc1ccc(Cl)cc1CNC(=O)CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C18H29ClN2O2/c1-17(2,3)12-18(4,5)21-11-16(22)20-10-13-9-14(19)7-8-15(13)23-6/h7-9,21H,10-12H2,1-6H3,(H,20,22)
InChIKeyYRYQOFCNBLOINM-UHFFFAOYSA-N
XLogP3.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119735604
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide
CID 115157863
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide
CID 82110952
N-[(5-chloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193549
3-[(5-chloro-2-methoxyphenyl)methylamino]-3-methylbutanoic acid
CID 166241104
N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxy-2-methylpropan-2-amine
CID 115608043
1-[(5-chloro-2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 47216838
2-(2,4-dichlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33100291
N-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 110780278
2-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 78907392
(2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119296049
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl(3-methylbutyl)amino]acetamide
CID 87018425

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide (CID 112841991) is N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide is COc1ccc(Cl)cc1CNC(=O)CNC(C)(C)CC(C)(C)C.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide?
The InChIKey is YRYQOFCNBLOINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2O2/c1-17(2,3)12-18(4,5)21-11-16(22)20-10-13-9-14(19)7-8-15(13)23-6/h7-9,21H,10-12H2,1-6H3,(H,20,22).
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide has a molecular weight of 340.90 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide is sourced from PubChem (CID 112841991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).