N-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl(3-methylbutyl)amino]acetamide

C16H25ClN2O2 — CID 87018425

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl(3-methylbutyl)amino]acetamide
SMILESCOc1ccc(Cl)cc1CNC(=O)CN(C)CCC(C)C
InChIInChI=1S/C16H25ClN2O2/c1-12(2)7-8-19(3)11-16(20)18-10-13-9-14(17)5-6-15(13)21-4/h5-6,9,12H,7-8,10-11H2,1-4H3,(H,18,20)
InChIKeyVXWNCCPFBYEDQH-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.94
Rot. Bonds8

About N-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl(3-methylbutyl)amino]acetamide

N-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl(3-methylbutyl)amino]acetamide (PubChem CID 87018425) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl(3-methylbutyl)amino]acetamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl(3-methylbutyl)amino]acetamide
PubChem CID87018425
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl(3-methylbutyl)amino]acetamide
SMILESCOc1ccc(Cl)cc1CNC(=O)CN(C)CCC(C)C
InChIInChI=1S/C16H25ClN2O2/c1-12(2)7-8-19(3)11-16(20)18-10-13-9-14(17)5-6-15(13)21-4/h5-6,9,12H,7-8,10-11H2,1-4H3,(H,18,20)
InChIKeyVXWNCCPFBYEDQH-UHFFFAOYSA-N
XLogP2.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide
CID 110767257
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide
CID 82110952
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 78899137
1-[(5-chloro-2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 47216838
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119735604
N-[(5-chloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193549
(2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119296049
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide
CID 115157863
2-(5-chloro-2-methoxyphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 39467305
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 51227933
2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 41416148
2-[2-hydroxypropyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 62334688

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl(3-methylbutyl)amino]acetamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl(3-methylbutyl)amino]acetamide (CID 87018425) is N-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl(3-methylbutyl)amino]acetamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl(3-methylbutyl)amino]acetamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl(3-methylbutyl)amino]acetamide is COc1ccc(Cl)cc1CNC(=O)CN(C)CCC(C)C.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl(3-methylbutyl)amino]acetamide?
The InChIKey is VXWNCCPFBYEDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-12(2)7-8-19(3)11-16(20)18-10-13-9-14(17)5-6-15(13)21-4/h5-6,9,12H,7-8,10-11H2,1-4H3,(H,18,20).
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl(3-methylbutyl)amino]acetamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl(3-methylbutyl)amino]acetamide has a molecular weight of 312.84 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl(3-methylbutyl)amino]acetamide is sourced from PubChem (CID 87018425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).