N-(1-chloro-4-methylpentan-3-yl)-2-(2-methoxyphenyl)acetamide

C15H22ClNO2 — CID 106354657

IUPACN-(1-chloro-4-methylpentan-3-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC(CCCl)C(C)C
InChIInChI=1S/C15H22ClNO2/c1-11(2)13(8-9-16)17-15(18)10-12-6-4-5-7-14(12)19-3/h4-7,11,13H,8-10H2,1-3H3,(H,17,18)
InChIKeyAEIVKJBSJRVDHD-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.01
Rot. Bonds7

About N-(1-chloro-4-methylpentan-3-yl)-2-(2-methoxyphenyl)acetamide

N-(1-chloro-4-methylpentan-3-yl)-2-(2-methoxyphenyl)acetamide (PubChem CID 106354657) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-3-yl)-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-3-yl)-2-(2-methoxyphenyl)acetamide
PubChem CID106354657
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-(1-chloro-4-methylpentan-3-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC(CCCl)C(C)C
InChIInChI=1S/C15H22ClNO2/c1-11(2)13(8-9-16)17-15(18)10-12-6-4-5-7-14(12)19-3/h4-7,11,13H,8-10H2,1-3H3,(H,17,18)
InChIKeyAEIVKJBSJRVDHD-UHFFFAOYSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 55033188
N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 40537959
N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119813108
2-(2-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 40636202
(2R)-N-ethyl-2-[[2-(2-methoxyphenyl)acetyl]amino]propanamide
CID 8751746
N-(1-chloro-4-methylpentan-3-yl)-2-(2,5-dimethylphenyl)acetamide
CID 106354683
3-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]propanamide
CID 54867469
5-methoxy-2-[[2-(2-methoxyphenyl)acetyl]amino]pentanoic acid
CID 81085334
N'-[2-(2-methoxyphenyl)acetyl]-3-methylbutanehydrazide
CID 46653047
N-(1-chloro-3-methylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide
CID 114305332
N-[1-(4-aminophenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 43297450
N-(3-aminobutyl)-2-(2-methoxyphenyl)acetamide;hydrochloride
CID 75369473

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-3-yl)-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-(1-chloro-4-methylpentan-3-yl)-2-(2-methoxyphenyl)acetamide (CID 106354657) is N-(1-chloro-4-methylpentan-3-yl)-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-3-yl)-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-3-yl)-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)NC(CCCl)C(C)C.
What is the InChIKey of N-(1-chloro-4-methylpentan-3-yl)-2-(2-methoxyphenyl)acetamide?
The InChIKey is AEIVKJBSJRVDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11(2)13(8-9-16)17-15(18)10-12-6-4-5-7-14(12)19-3/h4-7,11,13H,8-10H2,1-3H3,(H,17,18).
What are the key properties of N-(1-chloro-4-methylpentan-3-yl)-2-(2-methoxyphenyl)acetamide?
N-(1-chloro-4-methylpentan-3-yl)-2-(2-methoxyphenyl)acetamide has a molecular weight of 283.80 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-3-yl)-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 106354657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).