N-[2-chloro-4-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]acetamide

C15H23ClN2O2 — CID 43690114

IUPACN-[2-chloro-4-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]acetamide
SMILESCOC(C)(C)CC(C)Nc1ccc(NC(C)=O)c(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-10(9-15(3,4)20-5)17-12-6-7-14(13(16)8-12)18-11(2)19/h6-8,10,17H,9H2,1-5H3,(H,18,19)
InChIKeyBSNZRLHGHXWWFX-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.91
Rot. Bonds6

About N-[2-chloro-4-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]acetamide

N-[2-chloro-4-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]acetamide (PubChem CID 43690114) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-[2-chloro-4-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]acetamide
PubChem CID43690114
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-[2-chloro-4-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]acetamide
SMILESCOC(C)(C)CC(C)Nc1ccc(NC(C)=O)c(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-10(9-15(3,4)20-5)17-12-6-7-14(13(16)8-12)18-11(2)19/h6-8,10,17H,9H2,1-5H3,(H,18,19)
InChIKeyBSNZRLHGHXWWFX-UHFFFAOYSA-N
XLogP3.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-4-(nonan-2-ylamino)phenyl]acetamide
CID 43690203
N-[2-chloro-4-(1-cyclopropylethylamino)phenyl]acetamide
CID 43690232
N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide
CID 18149192
4-[(4-methoxy-4-methylpentan-2-yl)amino]phenol
CID 43742567
(2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38938244
3-iodo-N-(4-methoxy-4-methylpentan-2-yl)-4-methylaniline
CID 43716067
2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide
CID 47018355
N-[4-(butan-2-ylamino)-2-methylphenyl]acetamide
CID 43672867
N-(4-acetamido-3-chlorophenyl)-3-chloropropanamide
CID 43167983
2-hydroxyethyl N-(4-acetamido-3-chlorophenyl)carbamate
CID 79349658
N-[2-chloro-4-(heptylamino)phenyl]acetamide
CID 43690209
(2S)-N-(4-acetamido-3-chlorophenyl)-2-amino-3-methylbutanamide;hydrochloride
CID 119276951

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]acetamide (CID 43690114) is N-[2-chloro-4-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]acetamide is COC(C)(C)CC(C)Nc1ccc(NC(C)=O)c(Cl)c1.
What is the InChIKey of N-[2-chloro-4-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]acetamide?
The InChIKey is BSNZRLHGHXWWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-10(9-15(3,4)20-5)17-12-6-7-14(13(16)8-12)18-11(2)19/h6-8,10,17H,9H2,1-5H3,(H,18,19).
What are the key properties of N-[2-chloro-4-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]acetamide?
N-[2-chloro-4-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]acetamide has a molecular weight of 298.81 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 43690114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).